[2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine

C16H23F2N — CID 81011940

IUPAC[2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C16H23F2N/c1-10(2)11-3-4-12(9-19)14(7-11)15-8-13(17)5-6-16(15)18/h5-6,8,10-12,14H,3-4,7,9,19H2,1-2H3
InChIKeyPQZTZFJWABUOLJ-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.08
Rot. Bonds3

About [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine

[2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81011940) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81011940
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name[2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C16H23F2N/c1-10(2)11-3-4-12(9-19)14(7-11)15-8-13(17)5-6-16(15)18/h5-6,8,10-12,14H,3-4,7,9,19H2,1-2H3
InChIKeyPQZTZFJWABUOLJ-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine (CID 81011940) is [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)C(c2cc(F)ccc2F)C1.
What is the InChIKey of [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is PQZTZFJWABUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-10(2)11-3-4-12(9-19)14(7-11)15-8-13(17)5-6-16(15)18/h5-6,8,10-12,14H,3-4,7,9,19H2,1-2H3.
What are the key properties of [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 267.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81011940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).