2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine

C18H22N2 — CID 23911139

IUPAC2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCc1cccc(NC2CC(C)Nc3cc(C)ccc32)c1
InChIInChI=1S/C18H22N2/c1-12-5-4-6-15(9-12)20-18-11-14(3)19-17-10-13(2)7-8-16(17)18/h4-10,14,18-20H,11H2,1-3H3
InChIKeyWXXKBYOZJGRKRN-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.66
Rot. Bonds2

About 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine

2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 23911139) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID23911139
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCc1cccc(NC2CC(C)Nc3cc(C)ccc32)c1
InChIInChI=1S/C18H22N2/c1-12-5-4-6-15(9-12)20-18-11-14(3)19-17-10-13(2)7-8-16(17)18/h4-10,14,18-20H,11H2,1-3H3
InChIKeyWXXKBYOZJGRKRN-UHFFFAOYSA-N
XLogP4.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 715781
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
CID 95376117
N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105470482
(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 21093001
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylaniline
CID 43632546
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
1,7-dimethyl-3-(3-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 43189757
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
2-methyl-N-(3-methylphenyl)thiolan-3-amine
CID 102671005
(2S)-2,6-dimethyl-2,3-dihydro-1H-indole
CID 130731712
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine (CID 23911139) is 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine is Cc1cccc(NC2CC(C)Nc3cc(C)ccc32)c1.
What is the InChIKey of 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is WXXKBYOZJGRKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-12-5-4-6-15(9-12)20-18-11-14(3)19-17-10-13(2)7-8-16(17)18/h4-10,14,18-20H,11H2,1-3H3.
What are the key properties of 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 23911139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).