N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine

C16H19ClN2O2 — CID 54806452

IUPACN-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCNc2cccc(Cl)c2)c1
InChIInChI=1S/C16H19ClN2O2/c1-20-14-6-7-16(21-2)15(11-14)19-9-8-18-13-5-3-4-12(17)10-13/h3-7,10-11,18-19H,8-9H2,1-2H3
InChIKeyLSOXOEXHFQGOFU-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.88
Rot. Bonds7

About N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine

N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 54806452) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID54806452
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCNc2cccc(Cl)c2)c1
InChIInChI=1S/C16H19ClN2O2/c1-20-14-6-7-16(21-2)15(11-14)19-9-8-18-13-5-3-4-12(17)10-13/h3-7,10-11,18-19H,8-9H2,1-2H3
InChIKeyLSOXOEXHFQGOFU-UHFFFAOYSA-N
XLogP3.88
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807830
N-(3-chloro-2-methylphenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807475
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
3-chloro-N-[2-(5-methoxyindol-1-yl)ethyl]aniline
CID 63506789
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine (CID 54806452) is N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine is COc1ccc(OC)c(NCCNc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is LSOXOEXHFQGOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-20-14-6-7-16(21-2)15(11-14)19-9-8-18-13-5-3-4-12(17)10-13/h3-7,10-11,18-19H,8-9H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 306.79 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).