N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine

C15H17ClN2O — CID 65385525

IUPACN-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-19-15-5-3-2-4-13(15)14(10-17)18-12-8-6-11(16)7-9-12/h2-9,14,18H,10,17H2,1H3
InChIKeyOWNYLIGPNABEAH-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.46
Rot. Bonds5

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

N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65385525) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
PubChem CID65385525
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-19-15-5-3-2-4-13(15)14(10-17)18-12-8-6-11(16)7-9-12/h2-9,14,18H,10,17H2,1H3
InChIKeyOWNYLIGPNABEAH-UHFFFAOYSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 65384896
2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 82023303
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
2-(4-chlorophenoxy)-2-(2-methoxyphenyl)ethanamine
CID 55022034
(2R)-2-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenyl)ethanamine
CID 9167310
1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 66158421
4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43786118
N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385216
1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380773
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine (CID 65385525) is N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine is COc1ccccc1C(CN)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is OWNYLIGPNABEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-19-15-5-3-2-4-13(15)14(10-17)18-12-8-6-11(16)7-9-12/h2-9,14,18H,10,17H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine?
N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).