3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline

C16H16Cl2N2 — CID 106890411

IUPAC3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
SMILESCC1Cc2ccccc2N(c2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C16H16Cl2N2/c1-10-6-11-4-2-3-5-15(11)20(9-10)16-13(17)7-12(19)8-14(16)18/h2-5,7-8,10H,6,9,19H2,1H3
InChIKeyILCUQGVEZBJDAO-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.91
Rot. Bonds1

About 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline

3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline (PubChem CID 106890411) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
PubChem CID106890411
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
SMILESCC1Cc2ccccc2N(c2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C16H16Cl2N2/c1-10-6-11-4-2-3-5-15(11)20(9-10)16-13(17)7-12(19)8-14(16)18/h2-5,7-8,10H,6,9,19H2,1H3
InChIKeyILCUQGVEZBJDAO-UHFFFAOYSA-N
XLogP4.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115550530
2-chloro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 63520501
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479
1-[2-(bromomethyl)-3-chlorophenyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 107083487
1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 104839024
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 65342629
3,5-dichloro-N-methyl-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-2-amine
CID 102758280
[4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol
CID 114845625
5-amino-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63423175
(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63533302
(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115540697
1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline
CID 80935828

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The IUPAC name of 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline (CID 106890411) is 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The canonical SMILES for 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline is CC1Cc2ccccc2N(c2c(Cl)cc(N)cc2Cl)C1.
What is the InChIKey of 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
The InChIKey is ILCUQGVEZBJDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c1-10-6-11-4-2-3-5-15(11)20(9-10)16-13(17)7-12(19)8-14(16)18/h2-5,7-8,10H,6,9,19H2,1H3.
What are the key properties of 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline?
3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline has a molecular weight of 307.22 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline is sourced from PubChem (CID 106890411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).