2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline

C19H24N2 — CID 138966764

IUPAC2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline
SMILESCc1cc(C)c(NC[C@@H]2CCc3ccccc3N2)c(C)c1
InChIInChI=1S/C19H24N2/c1-13-10-14(2)19(15(3)11-13)20-12-17-9-8-16-6-4-5-7-18(16)21-17/h4-7,10-11,17,20-21H,8-9,12H2,1-3H3/t17-/m0/s1
InChIKeyWLGKMZBXIUGLGD-KRWDZBQOSA-N
MW280.42 g/mol
LogP4.45
Rot. Bonds3

About 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline

2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline (PubChem CID 138966764) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline
PubChem CID138966764
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline
SMILESCc1cc(C)c(NC[C@@H]2CCc3ccccc3N2)c(C)c1
InChIInChI=1S/C19H24N2/c1-13-10-14(2)19(15(3)11-13)20-12-17-9-8-16-6-4-5-7-18(16)21-17/h4-7,10-11,17,20-21H,8-9,12H2,1-3H3/t17-/m0/s1
InChIKeyWLGKMZBXIUGLGD-KRWDZBQOSA-N
XLogP4.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
CID 43329134
2-methyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propan-1-amine
CID 105473267
(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
CID 143997720
5-methyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95314538
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955508
(2R)-2-(3,5-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 122382632
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
CID 125489057
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
CID 10464768
2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104451
tert-butyl-dimethyl-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methoxy]silane
CID 132820205

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline (CID 138966764) is 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline is Cc1cc(C)c(NC[C@@H]2CCc3ccccc3N2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline?
The InChIKey is WLGKMZBXIUGLGD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2/c1-13-10-14(2)19(15(3)11-13)20-12-17-9-8-16-6-4-5-7-18(16)21-17/h4-7,10-11,17,20-21H,8-9,12H2,1-3H3/t17-/m0/s1.
What are the key properties of 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline?
2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline has a molecular weight of 280.42 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline is sourced from PubChem (CID 138966764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).