N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine

C16H23F2N — CID 81025575

IUPACN-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-2-19-11-12-6-4-3-5-7-16(12)13-8-14(17)10-15(18)9-13/h8-10,12,16,19H,2-7,11H2,1H3
InChIKeyKMSGNWZMIXWWPK-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.24
Rot. Bonds4

About N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine

N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine (PubChem CID 81025575) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine
PubChem CID81025575
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2N/c1-2-19-11-12-6-4-3-5-7-16(12)13-8-14(17)10-15(18)9-13/h8-10,12,16,19H,2-7,11H2,1H3
InChIKeyKMSGNWZMIXWWPK-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073
N-[[2-(3,5-difluorophenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81030132
N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine
CID 81033025
N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81028151
N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine
CID 81025284
N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
CID 81026227
N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 107290780
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 81027466
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 81018163
N-[[2-(3,5-difluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031514
N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024271

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine (CID 81025575) is N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1c1cc(F)cc(F)c1.
What is the InChIKey of N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine?
The InChIKey is KMSGNWZMIXWWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-2-19-11-12-6-4-3-5-7-16(12)13-8-14(17)10-15(18)9-13/h8-10,12,16,19H,2-7,11H2,1H3.
What are the key properties of N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine?
N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81025575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).