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

C16H23Cl2N — CID 81025276

IUPACN-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N/c1-2-19-11-12-7-4-3-5-8-13(12)14-9-6-10-15(17)16(14)18/h6,9-10,12-13,19H,2-5,7-8,11H2,1H3
InChIKeyIGSPBZKBEDHACT-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.27
Rot. Bonds4

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

N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine (PubChem CID 81025276) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
PubChem CID81025276
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N/c1-2-19-11-12-7-4-3-5-8-13(12)14-9-6-10-15(17)16(14)18/h6,9-10,12-13,19H,2-5,7-8,11H2,1H3
InChIKeyIGSPBZKBEDHACT-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81026756
N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine
CID 81018227
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[(2-naphthalen-1-ylcyclohexyl)methyl]ethanamine
CID 81028125
N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
CID 81026227
N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 79367958
N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81032598
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958
N-[[2-(2,3-dimethylphenyl)cycloheptyl]methyl]propan-1-amine
CID 81025199
N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 107361249
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
(2,3-dichlorophenyl)cycloheptane
CID 166869288

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine (CID 81025276) is N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1c1cccc(Cl)c1Cl.
What is the InChIKey of N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine?
The InChIKey is IGSPBZKBEDHACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-19-11-12-7-4-3-5-8-13(12)14-9-6-10-15(17)16(14)18/h6,9-10,12-13,19H,2-5,7-8,11H2,1H3.
What are the key properties of N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine?
N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine has a molecular weight of 300.27 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81025276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).