2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine

C15H21F2N — CID 105404534

IUPAC2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2N/c1-18-15-6-4-2-3-5-12(15)7-11-8-13(16)10-14(17)9-11/h8-10,12,15,18H,2-7H2,1H3
InChIKeyAFUYEBPEMGJVLX-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.68
Rot. Bonds3

About 2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine

2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine (PubChem CID 105404534) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine
PubChem CID105404534
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2N/c1-18-15-6-4-2-3-5-12(15)7-11-8-13(16)10-14(17)9-11/h8-10,12,15,18H,2-7H2,1H3
InChIKeyAFUYEBPEMGJVLX-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.68
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-methylcycloheptan-1-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine (CID 105404534) is 2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine is CNC1CCCCCC1Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is AFUYEBPEMGJVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-18-15-6-4-2-3-5-12(15)7-11-8-13(16)10-14(17)9-11/h8-10,12,15,18H,2-7H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine?
2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.68, 3 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-methylcycloheptan-1-amine is sourced from PubChem (CID 105404534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).