[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine

C17H26FN — CID 81011357

IUPAC[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCc1cc(C2CC(C(C)C)CCC2CN)ccc1F
InChIInChI=1S/C17H26FN/c1-11(2)13-4-5-15(10-19)16(9-13)14-6-7-17(18)12(3)8-14/h6-8,11,13,15-16H,4-5,9-10,19H2,1-3H3
InChIKeyAMWYEQSQJMNLDK-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.25
Rot. Bonds3

About [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine

[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81011357) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81011357
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCc1cc(C2CC(C(C)C)CCC2CN)ccc1F
InChIInChI=1S/C17H26FN/c1-11(2)13-4-5-15(10-19)16(9-13)14-6-7-17(18)12(3)8-14/h6-8,11,13,15-16H,4-5,9-10,19H2,1-3H3
InChIKeyAMWYEQSQJMNLDK-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine (CID 81011357) is [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine is Cc1cc(C2CC(C(C)C)CCC2CN)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is AMWYEQSQJMNLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-11(2)13-4-5-15(10-19)16(9-13)14-6-7-17(18)12(3)8-14/h6-8,11,13,15-16H,4-5,9-10,19H2,1-3H3.
What are the key properties of [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 263.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81011357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).