3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

C16H24ClFN2O2 — CID 119689736

IUPAC3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)C2CCCC(N)C2)cc1F.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-19(16(20)12-4-3-5-13(18)9-12)10-11-6-7-15(21-2)14(17)8-11;/h6-8,12-13H,3-5,9-10,18H2,1-2H3;1H
InChIKeyXTLDHNUUOZSDAL-UHFFFAOYSA-N
MW330.83 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119689736) has the molecular formula C16H24ClFN2O2 and a molecular weight of 330.83 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119689736
Molecular FormulaC16H24ClFN2O2
Molecular Weight330.83 g/mol
Exact Mass330.15
IUPAC Name3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)C2CCCC(N)C2)cc1F.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-19(16(20)12-4-3-5-13(18)9-12)10-11-6-7-15(21-2)14(17)8-11;/h6-8,12-13H,3-5,9-10,18H2,1-2H3;1H
InChIKeyXTLDHNUUOZSDAL-UHFFFAOYSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119704996
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119774829
3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 119759977
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
3-amino-N-methyl-N-[(3-methylsulfanylphenyl)methyl]cyclohexane-1-carboxamide
CID 156608399
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686979
trans-(1R,3R)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686974
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045904

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 119689736) is 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is COc1ccc(CN(C)C(=O)C2CCCC(N)C2)cc1F.Cl.
What is the InChIKey of 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XTLDHNUUOZSDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2.ClH/c1-19(16(20)12-4-3-5-13(18)9-12)10-11-6-7-15(21-2)14(17)8-11;/h6-8,12-13H,3-5,9-10,18H2,1-2H3;1H.
What are the key properties of 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 330.83 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119689736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).