N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride

C16H24ClFN2O2 — CID 119609283

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(CC(=O)NC2CCCCC2CN)cc1F.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-21-15-7-6-11(8-13(15)17)9-16(20)19-14-5-3-2-4-12(14)10-18;/h6-8,12,14H,2-5,9-10,18H2,1H3,(H,19,20);1H
InChIKeyTUSZYPBKBUTHMI-UHFFFAOYSA-N
MW330.83 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride (PubChem CID 119609283) has the molecular formula C16H24ClFN2O2 and a molecular weight of 330.83 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
PubChem CID119609283
Molecular FormulaC16H24ClFN2O2
Molecular Weight330.83 g/mol
Exact Mass330.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(CC(=O)NC2CCCCC2CN)cc1F.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-21-15-7-6-11(8-13(15)17)9-16(20)19-14-5-3-2-4-12(14)10-18;/h6-8,12,14H,2-5,9-10,18H2,1H3,(H,19,20);1H
InChIKeyTUSZYPBKBUTHMI-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119600550
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride (CID 119609283) is N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride is COc1ccc(CC(=O)NC2CCCCC2CN)cc1F.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is TUSZYPBKBUTHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2.ClH/c1-21-15-7-6-11(8-13(15)17)9-16(20)19-14-5-3-2-4-12(14)10-18;/h6-8,12,14H,2-5,9-10,18H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 330.83 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119609283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).