N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine

C15H22FN — CID 65081377

IUPACN-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN/c1-12-3-2-4-15(10-5-12)17-11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyFOQRRZRWGKQMPJ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.88
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine

N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine (PubChem CID 65081377) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
PubChem CID65081377
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN/c1-12-3-2-4-15(10-5-12)17-11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyFOQRRZRWGKQMPJ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65080834
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
4-[(4-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150124
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 79003256
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
N-[(4-butylphenyl)methyl]cyclobutanamine
CID 98783334
N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774535

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine (CID 65081377) is N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine is CC1CCCC(NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
The InChIKey is FOQRRZRWGKQMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12-3-2-4-15(10-5-12)17-11-13-6-8-14(16)9-7-13/h6-9,12,15,17H,2-5,10-11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine?
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65081377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).