N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine

C18H22N2 — CID 163235914

IUPACN-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine
SMILESCNCC1Cc2ccccc2N(c2ccc(C)cc2)C1
InChIInChI=1S/C18H22N2/c1-14-7-9-17(10-8-14)20-13-15(12-19-2)11-16-5-3-4-6-18(16)20/h3-10,15,19H,11-13H2,1-2H3
InChIKeyIWARFTFRWPBTPH-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.52
Rot. Bonds3

About N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine

N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine (PubChem CID 163235914) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine
PubChem CID163235914
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine
SMILESCNCC1Cc2ccccc2N(c2ccc(C)cc2)C1
InChIInChI=1S/C18H22N2/c1-14-7-9-17(10-8-14)20-13-15(12-19-2)11-16-5-3-4-6-18(16)20/h3-10,15,19H,11-13H2,1-2H3
InChIKeyIWARFTFRWPBTPH-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine;hydrochloride
CID 121206933
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
CID 170679886
1-[5-benzyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]-N-methylmethanamine
CID 163236000
(4S)-4-[(dimethylsulfamoylamino)methyl]-1-(4-methylphenyl)-2-oxopyrrolidine
CID 40912296
(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 176706267
(1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 141392582
methyl 2-methyl-4-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-quinolin-1-yl]benzoate
CID 118333106
1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 124890461
5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
CID 117002319
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7513834
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine (CID 163235914) is N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine is CNCC1Cc2ccccc2N(c2ccc(C)cc2)C1.
What is the InChIKey of N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine?
The InChIKey is IWARFTFRWPBTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-7-9-17(10-8-14)20-13-15(12-19-2)11-16-5-3-4-6-18(16)20/h3-10,15,19H,11-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine?
N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine is sourced from PubChem (CID 163235914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).