N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine

C16H24FNO — CID 104791705

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCOc1cccc(CNCC2CCCCC2C)c1F
InChIInChI=1S/C16H24FNO/c1-12-6-3-4-7-13(12)10-18-11-14-8-5-9-15(19-2)16(14)17/h5,8-9,12-13,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyYKJBUNGTSHWJPU-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.75
Rot. Bonds5

About N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine

N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine (PubChem CID 104791705) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
PubChem CID104791705
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCOc1cccc(CNCC2CCCCC2C)c1F
InChIInChI=1S/C16H24FNO/c1-12-6-3-4-7-13(12)10-18-11-14-8-5-9-15(19-2)16(14)17/h5,8-9,12-13,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyYKJBUNGTSHWJPU-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorocyclohexyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453890
1-(2-chlorocyclopentyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104794895
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453619
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
4-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104792773
1-(1-ethylpiperidin-4-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104791714
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 113453577
2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927106
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine (CID 104791705) is N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine is COc1cccc(CNCC2CCCCC2C)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The InChIKey is YKJBUNGTSHWJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-6-3-4-7-13(12)10-18-11-14-8-5-9-15(19-2)16(14)17/h5,8-9,12-13,18H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine has a molecular weight of 265.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine is sourced from PubChem (CID 104791705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).