[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine

C17H26FNO — CID 103396956

IUPAC[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCOc1ccc(C2CC(C(C)C)CCC2CN)c(F)c1
InChIInChI=1S/C17H26FNO/c1-11(2)12-4-5-13(10-19)16(8-12)15-7-6-14(20-3)9-17(15)18/h6-7,9,11-13,16H,4-5,8,10,19H2,1-3H3
InChIKeyVOLIYMBFGUABMT-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.95
Rot. Bonds4

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

[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 103396956) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is [2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID103396956
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCOc1ccc(C2CC(C(C)C)CCC2CN)c(F)c1
InChIInChI=1S/C17H26FNO/c1-11(2)12-4-5-13(10-19)16(8-12)15-7-6-14(20-3)9-17(15)18/h6-7,9,11-13,16H,4-5,8,10,19H2,1-3H3
InChIKeyVOLIYMBFGUABMT-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine (CID 103396956) is [2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine is COc1ccc(C2CC(C(C)C)CCC2CN)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is VOLIYMBFGUABMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-11(2)12-4-5-13(10-19)16(8-12)15-7-6-14(20-3)9-17(15)18/h6-7,9,11-13,16H,4-5,8,10,19H2,1-3H3.
What are the key properties of [2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 279.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 103396956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).