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

C17H20N2O — CID 115126021

IUPAC2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H20N2O/c1-12-5-3-7-15(18)17(12)19(2)14-8-9-16-13(11-14)6-4-10-20-16/h3,5,7-9,11H,4,6,10,18H2,1-2H3
InChIKeyCVJPVDNZOWWWFO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.67
Rot. Bonds2

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

2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine (PubChem CID 115126021) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine
PubChem CID115126021
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H20N2O/c1-12-5-3-7-15(18)17(12)19(2)14-8-9-16-13(11-14)6-4-10-20-16/h3,5,7-9,11H,4,6,10,18H2,1-2H3
InChIKeyCVJPVDNZOWWWFO-UHFFFAOYSA-N
XLogP3.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 115125003
2-N-(3,4-difluorophenyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126009
N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine
CID 144986840
N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 115212433
2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine
CID 115147640
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137444
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine
CID 115124297
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205260
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine (CID 115126021) is 2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine is Cc1cccc(N)c1N(C)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine?
The InChIKey is CVJPVDNZOWWWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-5-3-7-15(18)17(12)19(2)14-8-9-16-13(11-14)6-4-10-20-16/h3,5,7-9,11H,4,6,10,18H2,1-2H3.
What are the key properties of 2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine?
2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 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)-2-N,3-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115126021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).