1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine

C18H28FN — CID 64769923

IUPAC1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1CC(C)CC(C(N)C(C)(C)c2ccc(F)cc2)C1
InChIInChI=1S/C18H28FN/c1-12-9-13(2)11-14(10-12)17(20)18(3,4)15-5-7-16(19)8-6-15/h5-8,12-14,17H,9-11,20H2,1-4H3
InChIKeyYIIVLKPDTRCJFJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.50
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine

1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 64769923) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID64769923
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1CC(C)CC(C(N)C(C)(C)c2ccc(F)cc2)C1
InChIInChI=1S/C18H28FN/c1-12-9-13(2)11-14(10-12)17(20)18(3,4)15-5-7-16(19)8-6-15/h5-8,12-14,17H,9-11,20H2,1-4H3
InChIKeyYIIVLKPDTRCJFJ-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine (CID 64769923) is 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine is CC1CC(C)CC(C(N)C(C)(C)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is YIIVLKPDTRCJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-12-9-13(2)11-14(10-12)17(20)18(3,4)15-5-7-16(19)8-6-15/h5-8,12-14,17H,9-11,20H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 64769923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).