2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine

C15H17ClN2O — CID 62329507

IUPAC2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
SMILESCCCOc1ccc(Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-2-9-19-13-6-4-12(5-7-13)18-15-8-3-11(17)10-14(15)16/h3-8,10,18H,2,9,17H2,1H3
InChIKeyFZEGETXPAXVYMX-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.45
Rot. Bonds5

About 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine

2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine (PubChem CID 62329507) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
PubChem CID62329507
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
SMILESCCCOc1ccc(Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-2-9-19-13-6-4-12(5-7-13)18-15-8-3-11(17)10-14(15)16/h3-8,10,18H,2,9,17H2,1H3
InChIKeyFZEGETXPAXVYMX-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723
3-N-(2-chloro-4-methylphenyl)-5-propoxybenzene-1,3-diamine
CID 80721829
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 43148771
1-N-[4-[3-[4-(4-amino-2-chloroanilino)phenyl]propyl]phenyl]-2-chlorobenzene-1,4-diamine
CID 90006139
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304
5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
1-[4-(4-amino-2-chloroanilino)phenyl]ethanone
CID 82302045
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
5-bromo-2-(4-propoxyanilino)benzenecarbothioamide
CID 114891694
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine (CID 62329507) is 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine is CCCOc1ccc(Nc2ccc(N)cc2Cl)cc1.
What is the InChIKey of 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine?
The InChIKey is FZEGETXPAXVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-9-19-13-6-4-12(5-7-13)18-15-8-3-11(17)10-14(15)16/h3-8,10,18H,2,9,17H2,1H3.
What are the key properties of 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine?
2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 62329507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).