1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine

C15H21F2N — CID 105403031

IUPAC1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(N)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2N/c1-14(2)4-3-5-15(18,10-14)9-11-6-12(16)8-13(17)7-11/h6-8H,3-5,9-10,18H2,1-2H3
InChIKeyVOVPGHFLKHHMSK-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.81
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine

1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 105403031) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID105403031
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(N)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2N/c1-14(2)4-3-5-15(18,10-14)9-11-6-12(16)8-13(17)7-11/h6-8H,3-5,9-10,18H2,1-2H3
InChIKeyVOVPGHFLKHHMSK-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.81
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]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine (CID 105403031) is 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine is CC1(C)CCCC(N)(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is VOVPGHFLKHHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-14(2)4-3-5-15(18,10-14)9-11-6-12(16)8-13(17)7-11/h6-8H,3-5,9-10,18H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.81, 2 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]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 105403031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).