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

C17H20N2O — CID 115125003

IUPAC1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N(C)c2ccc3c(c2)CCCO3)c(N)c1
InChIInChI=1S/C17H20N2O/c1-12-5-7-16(15(18)10-12)19(2)14-6-8-17-13(11-14)4-3-9-20-17/h5-8,10-11H,3-4,9,18H2,1-2H3
InChIKeyYGDRMUZCGLMQOB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.67
Rot. Bonds2

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

1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine (PubChem CID 115125003) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine
PubChem CID115125003
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N(C)c2ccc3c(c2)CCCO3)c(N)c1
InChIInChI=1S/C17H20N2O/c1-12-5-7-16(15(18)10-12)19(2)14-6-8-17-13(11-14)4-3-9-20-17/h5-8,10-11H,3-4,9,18H2,1-2H3
InChIKeyYGDRMUZCGLMQOB-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

2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126021
ethane;7-methyl-2,3,4,5-tetrahydro-1-benzoxepine
CID 143911353
1-N-(3,5-dimethylphenyl)-1-N,4-dimethylbenzene-1,2-diamine
CID 62003537
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-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine
CID 115147640
2-chloro-3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-N,5-dimethylbenzene-1,3-diamine
CID 154997385
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-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine (CID 115125003) is 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine is Cc1ccc(N(C)c2ccc3c(c2)CCCO3)c(N)c1.
What is the InChIKey of 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine?
The InChIKey is YGDRMUZCGLMQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-5-7-16(15(18)10-12)19(2)14-6-8-17-13(11-14)4-3-9-20-17/h5-8,10-11H,3-4,9,18H2,1-2H3.
What are the key properties of 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine?
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-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 1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115125003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).