2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone

C15H20ClNO — CID 116614429

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone
SMILESNCC1(CC(=O)c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C15H20ClNO/c16-13-6-4-5-12(9-13)14(18)10-15(11-17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,17H2
InChIKeySKFAVLVTDRPAHL-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.82
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone (PubChem CID 116614429) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone
PubChem CID116614429
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone
SMILESNCC1(CC(=O)c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C15H20ClNO/c16-13-6-4-5-12(9-13)14(18)10-15(11-17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,17H2
InChIKeySKFAVLVTDRPAHL-UHFFFAOYSA-N
XLogP3.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415
2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone
CID 116599471
2-[1-[2-(3-fluorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004495
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674
2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone
CID 114737146
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17413736
2-[1-(aminomethyl)cyclohexyl]-1-(4-propan-2-yloxyphenyl)ethanone
CID 116614346
2-[1-(aminomethyl)cyclobutyl]-1-(3,4-diethoxyphenyl)ethanone
CID 116599582
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950454
2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
CID 116614423
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone (CID 116614429) is 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone is NCC1(CC(=O)c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone?
The InChIKey is SKFAVLVTDRPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-6-4-5-12(9-13)14(18)10-15(11-17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,17H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone has a molecular weight of 265.78 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 116614429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).