1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

C17H25F2N — CID 107430049

IUPAC1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H25F2N/c1-12(2)6-13-4-3-5-17(20,10-13)11-14-7-15(18)9-16(19)8-14/h7-9,12-13H,3-6,10-11,20H2,1-2H3
InChIKeyCPCZNLHKXGQCMQ-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.44
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine

1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107430049) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107430049
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H25F2N/c1-12(2)6-13-4-3-5-17(20,10-13)11-14-7-15(18)9-16(19)8-14/h7-9,12-13H,3-6,10-11,20H2,1-2H3
InChIKeyCPCZNLHKXGQCMQ-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107430049) is 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(N)(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is CPCZNLHKXGQCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-12(2)6-13-4-3-5-17(20,10-13)11-14-7-15(18)9-16(19)8-14/h7-9,12-13H,3-6,10-11,20H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine?
1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107430049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).