4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine

C15H15ClN2O — CID 62367304

IUPAC4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C15H15ClN2O/c16-10-5-6-14(12(17)9-10)18-13-7-8-19-15-4-2-1-3-11(13)15/h1-6,9,13,18H,7-8,17H2
InChIKeyCKJOJOBGXZDVTI-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.86
Rot. Bonds2

About 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine

4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine (PubChem CID 62367304) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
PubChem CID62367304
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C15H15ClN2O/c16-10-5-6-14(12(17)9-10)18-13-7-8-19-15-4-2-1-3-11(13)15/h1-6,9,13,18H,7-8,17H2
InChIKeyCKJOJOBGXZDVTI-UHFFFAOYSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
CID 62367472
4-bromo-1-N-(3,4-dihydro-2H-chromen-4-yl)-5-fluorobenzene-1,2-diamine
CID 66112506
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43733696
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 115474076
5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774229
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylamino)benzonitrile
CID 82707909
N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43689315
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine (CID 62367304) is 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine is Nc1cc(Cl)ccc1NC1CCOc2ccccc21.
What is the InChIKey of 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine?
The InChIKey is CKJOJOBGXZDVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-10-5-6-14(12(17)9-10)18-13-7-8-19-15-4-2-1-3-11(13)15/h1-6,9,13,18H,7-8,17H2.
What are the key properties of 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine?
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine has a molecular weight of 274.75 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 62367304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).