1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine

C16H23F2N — CID 82934724

IUPAC1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-11-3-5-13(10-19-2)14(7-11)8-12-4-6-15(17)16(18)9-12/h4,6,9,11,13-14,19H,3,5,7-8,10H2,1-2H3
InChIKeyPPSBHEAIXQKVFH-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine

1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 82934724) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID82934724
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-11-3-5-13(10-19-2)14(7-11)8-12-4-6-15(17)16(18)9-12/h4,6,9,11,13-14,19H,3,5,7-8,10H2,1-2H3
InChIKeyPPSBHEAIXQKVFH-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine (CID 82934724) is 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)CC1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is PPSBHEAIXQKVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11-3-5-13(10-19-2)14(7-11)8-12-4-6-15(17)16(18)9-12/h4,6,9,11,13-14,19H,3,5,7-8,10H2,1-2H3.
What are the key properties of 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 267.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 82934724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).