2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol

C16H24FNO — CID 79855538

IUPAC2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(Cc2ccc(F)cc2)C1O
InChIInChI=1S/C16H24FNO/c1-15(2)8-3-9-16(11-18,14(15)19)10-12-4-6-13(17)7-5-12/h4-7,14,19H,3,8-11,18H2,1-2H3
InChIKeyYDRPFJCPPUFLOL-UHFFFAOYSA-N
MW265.37 g/mol
LogP2.88
Rot. Bonds3

About 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol

2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol (PubChem CID 79855538) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
PubChem CID79855538
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(Cc2ccc(F)cc2)C1O
InChIInChI=1S/C16H24FNO/c1-15(2)8-3-9-16(11-18,14(15)19)10-12-4-6-13(17)7-5-12/h4-7,14,19H,3,8-11,18H2,1-2H3
InChIKeyYDRPFJCPPUFLOL-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol (CID 79855538) is 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol is CC1(C)CCCC(CN)(Cc2ccc(F)cc2)C1O.
What is the InChIKey of 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
The InChIKey is YDRPFJCPPUFLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-15(2)8-3-9-16(11-18,14(15)19)10-12-4-6-13(17)7-5-12/h4-7,14,19H,3,8-11,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79855538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).