2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine

C16H23Cl2N — CID 107312340

IUPAC2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)C1(C)CCCC1
InChIInChI=1S/C16H23Cl2N/c1-3-19-14(16(2)9-4-5-10-16)11-12-7-6-8-13(17)15(12)18/h6-8,14,19H,3-5,9-11H2,1-2H3
InChIKeyKFQSTCHINBNUMT-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.09
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine

2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine (PubChem CID 107312340) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
PubChem CID107312340
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)C1(C)CCCC1
InChIInChI=1S/C16H23Cl2N/c1-3-19-14(16(2)9-4-5-10-16)11-12-7-6-8-13(17)15(12)18/h6-8,14,19H,3-5,9-11H2,1-2H3
InChIKeyKFQSTCHINBNUMT-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 107311930
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 105032675
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 105032489
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526
2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106827647
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
2-(2,3-dichlorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 107308880
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 105377271
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 112653884
N-ethyl-1-(1-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 104997457
[2-(2,3-dichlorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 107312778
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine (CID 107312340) is 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine is CCNC(Cc1cccc(Cl)c1Cl)C1(C)CCCC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine?
The InChIKey is KFQSTCHINBNUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-3-19-14(16(2)9-4-5-10-16)11-12-7-6-8-13(17)15(12)18/h6-8,14,19H,3-5,9-11H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine?
2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine has a molecular weight of 300.27 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine is sourced from PubChem (CID 107312340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).