2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine

C15H16N2O — CID 115124297

IUPAC2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H16N2O/c16-13-5-1-2-6-14(13)17-12-7-8-15-11(10-12)4-3-9-18-15/h1-2,5-8,10,17H,3-4,9,16H2
InChIKeyAPCWNDVRCUHXNC-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.34
Rot. Bonds2

About 2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine

2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine (PubChem CID 115124297) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine
PubChem CID115124297
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H16N2O/c16-13-5-1-2-6-14(13)17-12-7-8-15-11(10-12)4-3-9-18-15/h1-2,5-8,10,17H,3-4,9,16H2
InChIKeyAPCWNDVRCUHXNC-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.34
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

3-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbenzene-1,3-diamine
CID 63076938
2-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylpropanenitrile
CID 115129022
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
CID 116926125
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide
CID 110726216
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
[6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide
CID 115264512
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
CID 110726178
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine (CID 115124297) is 2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine is Nc1ccccc1Nc1ccc2c(c1)CCCO2.
What is the InChIKey of 2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine?
The InChIKey is APCWNDVRCUHXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-13-5-1-2-6-14(13)17-12-7-8-15-11(10-12)4-3-9-18-15/h1-2,5-8,10,17H,3-4,9,16H2.
What are the key properties of 2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine?
2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 3.34, 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-6-yl)benzene-1,2-diamine is sourced from PubChem (CID 115124297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).