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

C16H18N2O — CID 115550430

IUPAC2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CCOc2ccccc21
InChIInChI=1S/C16H18N2O/c1-11-5-4-7-13(17)16(11)18-14-9-10-19-15-8-3-2-6-12(14)15/h2-8,14,18H,9-10,17H2,1H3
InChIKeyJHUBTFJAUAEHGW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.51
Rot. Bonds2

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

2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine (PubChem CID 115550430) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
PubChem CID115550430
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CCOc2ccccc21
InChIInChI=1S/C16H18N2O/c1-11-5-4-7-13(17)16(11)18-14-9-10-19-15-8-3-2-6-12(14)15/h2-8,14,18H,9-10,17H2,1H3
InChIKeyJHUBTFJAUAEHGW-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': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
CID 62367472
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

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine (CID 115550430) is 2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1NC1CCOc2ccccc21.
What is the InChIKey of 2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine?
The InChIKey is JHUBTFJAUAEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-4-7-13(17)16(11)18-14-9-10-19-15-8-3-2-6-12(14)15/h2-8,14,18H,9-10,17H2,1H3.
What are the key properties of 2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine?
2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-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 2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).