1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine

C14H21ClN2O — CID 65384153

IUPAC1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
SMILESCOc1ccc(C(CN)NC2CCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-18-14-7-6-10(8-12(14)15)13(9-16)17-11-4-2-3-5-11/h6-8,11,13,17H,2-5,9,16H2,1H3
InChIKeySZDOXEWBKLETQX-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine

1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine (PubChem CID 65384153) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
PubChem CID65384153
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
SMILESCOc1ccc(C(CN)NC2CCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-18-14-7-6-10(8-12(14)15)13(9-16)17-11-4-2-3-5-11/h6-8,11,13,17H,2-5,9,16H2,1H3
InChIKeySZDOXEWBKLETQX-UHFFFAOYSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030744
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine (CID 65384153) is 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine is COc1ccc(C(CN)NC2CCCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine?
The InChIKey is SZDOXEWBKLETQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-18-14-7-6-10(8-12(14)15)13(9-16)17-11-4-2-3-5-11/h6-8,11,13,17H,2-5,9,16H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine?
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine has a molecular weight of 268.79 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 65384153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).