[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine

C17H26FN — CID 106882861

IUPAC[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine
SMILESCc1cc(C)c(C2CC(C)(C)CCC2CN)c(F)c1
InChIInChI=1S/C17H26FN/c1-11-7-12(2)16(15(18)8-11)14-9-17(3,4)6-5-13(14)10-19/h7-8,13-14H,5-6,9-10,19H2,1-4H3
InChIKeyHGQASRJNAPWGPZ-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.31
Rot. Bonds2

About [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine

[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine (PubChem CID 106882861) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine
PubChem CID106882861
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine
SMILESCc1cc(C)c(C2CC(C)(C)CCC2CN)c(F)c1
InChIInChI=1S/C17H26FN/c1-11-7-12(2)16(15(18)8-11)14-9-17(3,4)6-5-13(14)10-19/h7-8,13-14H,5-6,9-10,19H2,1-4H3
InChIKeyHGQASRJNAPWGPZ-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
CID 106882856
[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011493
[4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methanamine
CID 113297409
2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
CID 106882846
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654
[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 116507076
6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane
CID 142950141
[2-(5-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81011753
N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 106882904
[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81012063
2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 106882833
[2-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81011754

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine (CID 106882861) is [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine is Cc1cc(C)c(C2CC(C)(C)CCC2CN)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is HGQASRJNAPWGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-11-7-12(2)16(15(18)8-11)14-9-17(3,4)6-5-13(14)10-19/h7-8,13-14H,5-6,9-10,19H2,1-4H3.
What are the key properties of [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine?
[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 263.40 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 106882861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).