N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine

C15H22FN — CID 64774535

IUPACN-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(NCc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN/c1-11-3-4-12(2)15(9-11)17-10-13-5-7-14(16)8-6-13/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3
InChIKeyNSRNMRQMAKADFV-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.74
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine

N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 64774535) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID64774535
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(NCc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN/c1-11-3-4-12(2)15(9-11)17-10-13-5-7-14(16)8-6-13/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3
InChIKeyNSRNMRQMAKADFV-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774950
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 114136811
2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 63994271
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995059
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
CID 113423514
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 46869734

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine (CID 64774535) is N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine is CC1CCC(C)C(NCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is NSRNMRQMAKADFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-3-4-12(2)15(9-11)17-10-13-5-7-14(16)8-6-13/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine?
N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.74, 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]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64774535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).