N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride

C19H21Cl4NO — CID 70789913

IUPACN-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
SMILESClc1ccc(COc2c(Cl)cc(CNC3CCCC3)cc2Cl)cc1.[Cl-].[H+]
InChIInChI=1S/C19H20Cl3NO.ClH/c20-15-7-5-13(6-8-15)12-24-19-17(21)9-14(10-18(19)22)11-23-16-3-1-2-4-16;/h5-10,16,23H,1-4,11-12H2;1H
InChIKeyALLNCRVUODOBBO-UHFFFAOYSA-N
MW421.20 g/mol
LogP3.37
Rot. Bonds6

About N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride

N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride (PubChem CID 70789913) has the molecular formula C19H21Cl4NO and a molecular weight of 421.20 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
PubChem CID70789913
Molecular FormulaC19H21Cl4NO
Molecular Weight421.20 g/mol
Exact Mass419.04
IUPAC NameN-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
SMILESClc1ccc(COc2c(Cl)cc(CNC3CCCC3)cc2Cl)cc1.[Cl-].[H+]
InChIInChI=1S/C19H20Cl3NO.ClH/c20-15-7-5-13(6-8-15)12-24-19-17(21)9-14(10-18(19)22)11-23-16-3-1-2-4-16;/h5-10,16,23H,1-4,11-12H2;1H
InChIKeyALLNCRVUODOBBO-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride 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-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 35698068
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 35698685
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17289730
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17295387
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
CID 70789999
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclobutanamine;hydron;chloride
CID 70790004
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17056949
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17057052
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 11948820
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 35697968

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride?
The IUPAC name of N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride (CID 70789913) is N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride.
What is the SMILES notation for N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride?
The canonical SMILES for N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride is Clc1ccc(COc2c(Cl)cc(CNC3CCCC3)cc2Cl)cc1.[Cl-].[H+].
What is the InChIKey of N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride?
The InChIKey is ALLNCRVUODOBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3NO.ClH/c20-15-7-5-13(6-8-15)12-24-19-17(21)9-14(10-18(19)22)11-23-16-3-1-2-4-16;/h5-10,16,23H,1-4,11-12H2;1H.
What are the key properties of N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride?
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride has a molecular weight of 421.20 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride is sourced from PubChem (CID 70789913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).