N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine

C16H24ClN — CID 81026227

IUPACN-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-2-18-12-14-7-4-3-5-10-16(14)13-8-6-9-15(17)11-13/h6,8-9,11,14,16,18H,2-5,7,10,12H2,1H3
InChIKeyKGDWCUGDOBYFNX-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.61
Rot. Bonds4

About N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine

N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine (PubChem CID 81026227) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
PubChem CID81026227
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-2-18-12-14-7-4-3-5-10-16(14)13-8-6-9-15(17)11-13/h6,8-9,11,14,16,18H,2-5,7,10,12H2,1H3
InChIKeyKGDWCUGDOBYFNX-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 81027466
N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
CID 81025276
2-[2-(3-chlorophenyl)cycloheptyl]acetonitrile
CID 82244574
N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine
CID 81025575
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 107290780
N-[[2-(3-chlorophenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030568
N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81028151
N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine
CID 81033025
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine
CID 81025284

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine (CID 81026227) is N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1c1cccc(Cl)c1.
What is the InChIKey of N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine?
The InChIKey is KGDWCUGDOBYFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-18-12-14-7-4-3-5-10-16(14)13-8-6-9-15(17)11-13/h6,8-9,11,14,16,18H,2-5,7,10,12H2,1H3.
What are the key properties of N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine?
N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81026227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).