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Chemical ID: 6664293
Chemical ID:
6664293
Name [?]:
1-(4-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
SMILES [?]:
CC(Cc1ccc(cc1)Cl)NCC2CC2
InChi [?]:
InChI=1/C13H18ClN/c1-10(15-9-12-2-3-12)8-11-4-6-13(14)7-5-11/h4-7,10,12,15H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,5,9,6,8,3,12,2,4,13,7,10,11/E:(2,3)(4,5)(6,7)/rA:15cCCCCCCCCCClNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s2;s11;s12;s13;s13s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClN |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.82102 |
Area: | 429.298 |
Solvation: | -0.91143 |
Coulombic: | -11.4489 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 223.741 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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