N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine

C21H25Cl2NO2 — CID 4715615

IUPACN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine
SMILESCCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H25Cl2NO2/c1-2-25-20-12-16(13-24-18-5-3-4-6-18)11-19(23)21(20)26-14-15-7-9-17(22)10-8-15/h7-12,18,24H,2-6,13-14H2,1H3
InChIKeyFODIKOLBYKPALO-UHFFFAOYSA-N
MW394.34 g/mol
LogP6.00
Rot. Bonds8

About N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine (PubChem CID 4715615) has the molecular formula C21H25Cl2NO2 and a molecular weight of 394.34 g/mol. Its IUPAC name is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine
PubChem CID4715615
Molecular FormulaC21H25Cl2NO2
Molecular Weight394.34 g/mol
Exact Mass393.13
IUPAC NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine
SMILESCCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H25Cl2NO2/c1-2-25-20-12-16(13-24-18-5-3-4-6-18)11-19(23)21(20)26-14-15-7-9-17(22)10-8-15/h7-12,18,24H,2-6,13-14H2,1H3
InChIKeyFODIKOLBYKPALO-UHFFFAOYSA-N
XLogP6.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.34
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[4-(Allyloxy)-3-chloro-5-ethoxyphenyl]carbonothioyl}pyrrolidine
CID 2219423
2-[(4-Butoxy-3-chloro-5-ethoxybenzyl)amino]-2-methyl-1-propanol
CID 2217251
N-(3-chloro-5-ethoxy-4-propoxybenzyl)-1-butanamine hydrochloride
CID 2962384
N-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxybenzyl}cyclopentanamine hydrochloride
CID 2962400
N-(3-chloro-4-ethoxy-5-methoxybenzyl)-2,4,4-trimethyl-2-pentanamine hydrochloride
CID 2978512
N-[2-(allyloxy)-5-chloro-3-methoxybenzyl]cyclopentanamine hydrochloride
CID 2982978
2-Chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride
CID 44522336
N'-[4-(allyloxy)-3-chloro-5-methoxybenzyl]-N,N-dimethyl-1,4-benzenediamine
CID 2215308
[3-(3-Chloro-5-methoxy-4-octyloxy-benzylamino)-propyl]-phosphonic acid
CID 10173327
2-[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]-1-phenylethanol
CID 2996938
N-[3-(benzyloxy)-4-methoxybenzyl]-2-(4-chlorophenyl)ethanamine
CID 2169083
N'-{4-[(2-chloro-4-fluorobenzyl)oxy]-3-methoxybenzyl}-N,N-dimethylpropane-1,3-diamine
CID 2227356

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine (CID 4715615) is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine is CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine?
The InChIKey is FODIKOLBYKPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO2/c1-2-25-20-12-16(13-24-18-5-3-4-6-18)11-19(23)21(20)26-14-15-7-9-17(22)10-8-15/h7-12,18,24H,2-6,13-14H2,1H3.
What are the key properties of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine?
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine has a molecular weight of 394.34 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine is sourced from PubChem (CID 4715615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).