4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline

C16H17ClN2 — CID 115468460

IUPAC4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
SMILESCc1ccc2c(c1)CCCN2c1cc(Cl)ccc1N
InChIInChI=1S/C16H17ClN2/c1-11-4-7-15-12(9-11)3-2-8-19(15)16-10-13(17)5-6-14(16)18/h4-7,9-10H,2-3,8,18H2,1H3
InChIKeyPCJACCSNKUEZAN-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.31
Rot. Bonds1

About 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline

4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline (PubChem CID 115468460) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
PubChem CID115468460
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
SMILESCc1ccc2c(c1)CCCN2c1cc(Cl)ccc1N
InChIInChI=1S/C16H17ClN2/c1-11-4-7-15-12(9-11)3-2-8-19(15)16-10-13(17)5-6-14(16)18/h4-7,9-10H,2-3,8,18H2,1H3
InChIKeyPCJACCSNKUEZAN-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The IUPAC name of 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline (CID 115468460) is 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline.
What is the SMILES notation for 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The canonical SMILES for 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline is Cc1ccc2c(c1)CCCN2c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The InChIKey is PCJACCSNKUEZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-11-4-7-15-12(9-11)3-2-8-19(15)16-10-13(17)5-6-14(16)18/h4-7,9-10H,2-3,8,18H2,1H3.
What are the key properties of 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline has a molecular weight of 272.78 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline is sourced from PubChem (CID 115468460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).