N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine

C15H22FNO — CID 103757549

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCC(C)C2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-11-4-3-5-13(8-11)17-10-12-6-7-14(18-2)9-15(12)16/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3
InChIKeyMRSFPTUHTMELQI-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.50
Rot. Bonds4

About N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine

N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 103757549) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID103757549
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCC(C)C2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-11-4-3-5-13(8-11)17-10-12-6-7-14(18-2)9-15(12)16/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3
InChIKeyMRSFPTUHTMELQI-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
CID 102876481
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 43317735
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine (CID 103757549) is N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine is COc1ccc(CNC2CCCC(C)C2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is MRSFPTUHTMELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-4-3-5-13(8-11)17-10-12-6-7-14(18-2)9-15(12)16/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 103757549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).