N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine

C16H24ClNO2 — CID 4717339

IUPACN-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine
SMILESCCOc1cc(CNC2CCCC2)cc(Cl)c1OCC
InChIInChI=1S/C16H24ClNO2/c1-3-19-15-10-12(9-14(17)16(15)20-4-2)11-18-13-7-5-6-8-13/h9-10,13,18H,3-8,11H2,1-2H3
InChIKeyDYWXTSSDQFNTON-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.17
Rot. Bonds7

About N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine

N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine (PubChem CID 4717339) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine
PubChem CID4717339
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine
SMILESCCOc1cc(CNC2CCCC2)cc(Cl)c1OCC
InChIInChI=1S/C16H24ClNO2/c1-3-19-15-10-12(9-14(17)16(15)20-4-2)11-18-13-7-5-6-8-13/h9-10,13,18H,3-8,11H2,1-2H3
InChIKeyDYWXTSSDQFNTON-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17295895
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 29226592
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17289730
2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4721368
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 4721597
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 11948820
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331560
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
CID 70789999
N-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 70790014
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4720829
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclobutanamine;hydron;chloride
CID 70790004

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine (CID 4717339) is N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine is CCOc1cc(CNC2CCCC2)cc(Cl)c1OCC.
What is the InChIKey of N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine?
The InChIKey is DYWXTSSDQFNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-19-15-10-12(9-14(17)16(15)20-4-2)11-18-13-7-5-6-8-13/h9-10,13,18H,3-8,11H2,1-2H3.
What are the key properties of N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine?
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine has a molecular weight of 297.83 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 4717339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).