[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone

C14H17Cl2NO — CID 116584564

IUPAC[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
SMILESNCC1CCCCC1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2NO/c15-12-7-3-6-11(13(12)16)14(18)10-5-2-1-4-9(10)8-17/h3,6-7,9-10H,1-2,4-5,8,17H2
InChIKeyUTBIEKUOFDGYHF-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.94
Rot. Bonds3

About [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone

[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone (PubChem CID 116584564) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
PubChem CID116584564
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
SMILESNCC1CCCCC1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2NO/c15-12-7-3-6-11(13(12)16)14(18)10-5-2-1-4-9(10)8-17/h3,6-7,9-10H,1-2,4-5,8,17H2
InChIKeyUTBIEKUOFDGYHF-UHFFFAOYSA-N
XLogP3.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
CID 116584561
1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
CID 107311389
[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116584732
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
(2-aminocycloheptyl)-(2-chlorophenyl)methanone
CID 116595085
[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116584292
(2-aminocyclopentyl)-(2-chlorophenyl)methanone
CID 116580051
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone
CID 116584636
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 103292388
2,3-dichlorobenzamide;hydron
CID 69226563

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone (CID 116584564) is [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone is NCC1CCCCC1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone?
The InChIKey is UTBIEKUOFDGYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-12-7-3-6-11(13(12)16)14(18)10-5-2-1-4-9(10)8-17/h3,6-7,9-10H,1-2,4-5,8,17H2.
What are the key properties of [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone?
[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone has a molecular weight of 286.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 116584564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).