N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine

C16H19ClN2O2 — CID 65384896

IUPACN-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(C(CN)Nc2ccc(Cl)cc2)c1OC
InChIInChI=1S/C16H19ClN2O2/c1-20-15-5-3-4-13(16(15)21-2)14(10-18)19-12-8-6-11(17)7-9-12/h3-9,14,19H,10,18H2,1-2H3
InChIKeyLQIRQMGKQAFQCW-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.47
Rot. Bonds6

About N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine

N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 65384896) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID65384896
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(C(CN)Nc2ccc(Cl)cc2)c1OC
InChIInChI=1S/C16H19ClN2O2/c1-20-15-5-3-4-13(16(15)21-2)14(10-18)19-12-8-6-11(17)7-9-12/h3-9,14,19H,10,18H2,1-2H3
InChIKeyLQIRQMGKQAFQCW-UHFFFAOYSA-N
XLogP3.47
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385525
N-[(1R)-1-(2,3-dimethoxyphenyl)but-3-enyl]aniline
CID 7061567
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
1-(2,3-dimethoxyphenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228264
1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 66158421
2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 82023303
3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
CID 12814074
methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate
CID 59025490
[(4-chloro-2-fluorophenyl)-(2,3-dimethoxyphenyl)methyl]hydrazine
CID 105328431
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
2-(4-chlorophenoxy)-2-(2-methoxyphenyl)ethanamine
CID 55022034

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine (CID 65384896) is N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine is COc1cccc(C(CN)Nc2ccc(Cl)cc2)c1OC.
What is the InChIKey of N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is LQIRQMGKQAFQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-20-15-5-3-4-13(16(15)21-2)14(10-18)19-12-8-6-11(17)7-9-12/h3-9,14,19H,10,18H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine?
N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 306.79 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).