4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine

C16H19N3 — CID 106750204

IUPAC4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
SMILESCc1ccc2c(c1)CCCN2c1ccc(N)c(N)c1
InChIInChI=1S/C16H19N3/c1-11-4-7-16-12(9-11)3-2-8-19(16)13-5-6-14(17)15(18)10-13/h4-7,9-10H,2-3,8,17-18H2,1H3
InChIKeyYTQZIYRXWNOGMS-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.24
Rot. Bonds1

About 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine

4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine (PubChem CID 106750204) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
PubChem CID106750204
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
SMILESCc1ccc2c(c1)CCCN2c1ccc(N)c(N)c1
InChIInChI=1S/C16H19N3/c1-11-4-7-16-12(9-11)3-2-8-19(16)13-5-6-14(17)15(18)10-13/h4-7,9-10H,2-3,8,17-18H2,1H3
InChIKeyYTQZIYRXWNOGMS-UHFFFAOYSA-N
XLogP3.24
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine?
The IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine (CID 106750204) is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine is Cc1ccc2c(c1)CCCN2c1ccc(N)c(N)c1.
What is the InChIKey of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine?
The InChIKey is YTQZIYRXWNOGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-4-7-16-12(9-11)3-2-8-19(16)13-5-6-14(17)15(18)10-13/h4-7,9-10H,2-3,8,17-18H2,1H3.
What are the key properties of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine?
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine has a molecular weight of 253.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 106750204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).