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

C16H24FNO — CID 102876472

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
SMILESCOc1ccc(CNC2CCCCCC2C)c(F)c1
InChIInChI=1S/C16H24FNO/c1-12-6-4-3-5-7-16(12)18-11-13-8-9-14(19-2)10-15(13)17/h8-10,12,16,18H,3-7,11H2,1-2H3
InChIKeyQCTBSESFJPDXLQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.89
Rot. Bonds4

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

N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine (PubChem CID 102876472) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
PubChem CID102876472
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
SMILESCOc1ccc(CNC2CCCCCC2C)c(F)c1
InChIInChI=1S/C16H24FNO/c1-12-6-4-3-5-7-16(12)18-11-13-8-9-14(19-2)10-15(13)17/h8-10,12,16,18H,3-7,11H2,1-2H3
InChIKeyQCTBSESFJPDXLQ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423
2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 103792995
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
CID 102876481
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43082086
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
7-methoxy-3-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 864655
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61263630
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
CID 81145754

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine (CID 102876472) is N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine is COc1ccc(CNC2CCCCCC2C)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine?
The InChIKey is QCTBSESFJPDXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-6-4-3-5-7-16(12)18-11-13-8-9-14(19-2)10-15(13)17/h8-10,12,16,18H,3-7,11H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.89, 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]-2-methylcycloheptan-1-amine is sourced from PubChem (CID 102876472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).