[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

C17H26FN — CID 105375873

IUPAC[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCc1ccc(F)cc1CC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C17H26FN/c1-13-4-5-15(18)10-14(13)11-17(12-19)8-6-16(2,3)7-9-17/h4-5,10H,6-9,11-12,19H2,1-3H3
InChIKeyCOJBUCMKJSPMOB-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.22
Rot. Bonds3

About [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (PubChem CID 105375873) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
PubChem CID105375873
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCc1ccc(F)cc1CC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C17H26FN/c1-13-4-5-15(18)10-14(13)11-17(12-19)8-6-16(2,3)7-9-17/h4-5,10H,6-9,11-12,19H2,1-3H3
InChIKeyCOJBUCMKJSPMOB-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 114349742
[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390377
[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105410611
[1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65392363
1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 105375889
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292
2-[[1-(bromomethyl)cyclohexyl]methyl]-4-fluoro-1-methylbenzene
CID 105376025
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
CID 114349747
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (CID 105375873) is [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine is Cc1ccc(F)cc1CC1(CN)CCC(C)(C)CC1.
What is the InChIKey of [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is COJBUCMKJSPMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-13-4-5-15(18)10-14(13)11-17(12-19)8-6-16(2,3)7-9-17/h4-5,10H,6-9,11-12,19H2,1-3H3.
What are the key properties of [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 263.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 105375873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).