2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

C16H23F2N — CID 105404538

IUPAC2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-3-19-16-5-4-11(2)6-13(16)7-12-8-14(17)10-15(18)9-12/h8-11,13,16,19H,3-7H2,1-2H3
InChIKeyGYEJULMZLRWRJW-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.92
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 105404538) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID105404538
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-3-19-16-5-4-11(2)6-13(16)7-12-8-14(17)10-15(18)9-12/h8-11,13,16,19H,3-7H2,1-2H3
InChIKeyGYEJULMZLRWRJW-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (CID 105404538) is 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is GYEJULMZLRWRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-19-16-5-4-11(2)6-13(16)7-12-8-14(17)10-15(18)9-12/h8-11,13,16,19H,3-7H2,1-2H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 105404538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).