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

C16H18N2O — CID 62364894

IUPAC1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C16H18N2O/c1-11-10-12(17)6-7-14(11)18-15-8-9-19-16-5-3-2-4-13(15)16/h2-7,10,15,18H,8-9,17H2,1H3
InChIKeyGEVHVKSUHLHSSK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.51
Rot. Bonds2

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

1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine (PubChem CID 62364894) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
PubChem CID62364894
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C16H18N2O/c1-11-10-12(17)6-7-14(11)18-15-8-9-19-16-5-3-2-4-13(15)16/h2-7,10,15,18H,8-9,17H2,1H3
InChIKeyGEVHVKSUHLHSSK-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-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

N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
CID 62367472
2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
CID 115550430
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43733696
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylpyridin-3-amine
CID 79042451
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylamino)benzonitrile
CID 82707909
4-bromo-1-N-(3,4-dihydro-2H-chromen-4-yl)-5-fluorobenzene-1,2-diamine
CID 66112506
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine (CID 62364894) is 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine is Cc1cc(N)ccc1NC1CCOc2ccccc21.
What is the InChIKey of 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine?
The InChIKey is GEVHVKSUHLHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-10-12(17)6-7-14(11)18-15-8-9-19-16-5-3-2-4-13(15)16/h2-7,10,15,18H,8-9,17H2,1H3.
What are the key properties of 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine?
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine has a molecular weight of 254.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 62364894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).