[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

C16H23F2N — CID 105410611

IUPAC[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H23F2N/c1-15(2)3-5-16(11-19,6-4-15)10-12-7-13(17)9-14(18)8-12/h7-9H,3-6,10-11,19H2,1-2H3
InChIKeyHJMUGZDTJICZFN-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.05
Rot. Bonds3

About [1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (PubChem CID 105410611) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is [1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
PubChem CID105410611
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C16H23F2N/c1-15(2)3-5-16(11-19,6-4-15)10-12-7-13(17)9-14(18)8-12/h7-9H,3-6,10-11,19H2,1-2H3
InChIKeyHJMUGZDTJICZFN-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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]-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (CID 105410611) is [1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine is CC1(C)CCC(CN)(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of [1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is HJMUGZDTJICZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-15(2)3-5-16(11-19,6-4-15)10-12-7-13(17)9-14(18)8-12/h7-9H,3-6,10-11,19H2,1-2H3.
What are the key properties of [1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 267.36 g/mol, XLogP of 4.05, 3 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]-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 105410611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).