(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine

C16H16Cl2N2 — CID 21093001

IUPAC(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESC[C@@H]1C[C@H](Nc2ccc(Cl)cc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C16H16Cl2N2/c1-10-8-16(20-13-5-2-11(17)3-6-13)14-9-12(18)4-7-15(14)19-10/h2-7,9-10,16,19-20H,8H2,1H3/t10-,16+/m1/s1
InChIKeyFGUNEERUJNTBKF-HWPZZCPQSA-N
MW307.22 g/mol
LogP5.35
Rot. Bonds2

About (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine

(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 21093001) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID21093001
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESC[C@@H]1C[C@H](Nc2ccc(Cl)cc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C16H16Cl2N2/c1-10-8-16(20-13-5-2-11(17)3-6-13)14-9-12(18)4-7-15(14)19-10/h2-7,9-10,16,19-20H,8H2,1H3/t10-,16+/m1/s1
InChIKeyFGUNEERUJNTBKF-HWPZZCPQSA-N
XLogP5.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine with MolForge

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Related Compounds

[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
CID 68921650
6-chloro-2,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 105449607
(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 715781
4-(6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275927
2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 23911139
(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275034
1-[4-(4-chloroanilino)-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 67208060
methyl N-[(2R,4S)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
CID 58639253
N-(4-ethylphenyl)-2-methyl-6-[4-(1-phenylethenyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-4-amine
CID 143781798
3-(4-chloroanilino)thiolan-2-one
CID 13092386
[6-chloro-4-(4-chloroanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 12044872

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 21093001) is (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine is C[C@@H]1C[C@H](Nc2ccc(Cl)cc2)c2cc(Cl)ccc2N1.
What is the InChIKey of (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is FGUNEERUJNTBKF-HWPZZCPQSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c1-10-8-16(20-13-5-2-11(17)3-6-13)14-9-12(18)4-7-15(14)19-10/h2-7,9-10,16,19-20H,8H2,1H3/t10-,16+/m1/s1.
What are the key properties of (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 307.22 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 21093001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).