N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

C17H26FN — CID 107428036

IUPACN-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCc2cccc(F)c2)C1
InChIInChI=1S/C17H26FN/c1-13(2)9-14-5-4-8-17(11-14)19-12-15-6-3-7-16(18)10-15/h3,6-7,10,13-14,17,19H,4-5,8-9,11-12H2,1-2H3
InChIKeyODSSFIIJHDCTLA-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.52
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428036) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428036
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCc2cccc(F)c2)C1
InChIInChI=1S/C17H26FN/c1-13(2)9-14-5-4-8-17(11-14)19-12-15-6-3-7-16(18)10-15/h3,6-7,10,13-14,17,19H,4-5,8-9,11-12H2,1-2H3
InChIKeyODSSFIIJHDCTLA-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428323
3,5-difluoro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427934
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428515
N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086258
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61222650
N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428555
N-[(3-propan-2-ylphenyl)methyl]cyclopentanamine
CID 126684599
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64742190

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428036) is N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(NCc2cccc(F)c2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is ODSSFIIJHDCTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-13(2)9-14-5-4-8-17(11-14)19-12-15-6-3-7-16(18)10-15/h3,6-7,10,13-14,17,19H,4-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).