[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C19H24N2 — CID 82583894

IUPAC[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCc1cccc(C2CN(C)C(CN)c3cc(C)ccc32)c1
InChIInChI=1S/C19H24N2/c1-13-5-4-6-15(9-13)18-12-21(3)19(11-20)17-10-14(2)7-8-16(17)18/h4-10,18-19H,11-12,20H2,1-3H3
InChIKeyKTYRUBDUKISWLC-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.38
Rot. Bonds2

About [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82583894) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82583894
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCc1cccc(C2CN(C)C(CN)c3cc(C)ccc32)c1
InChIInChI=1S/C19H24N2/c1-13-5-4-6-15(9-13)18-12-21(3)19(11-20)17-10-14(2)7-8-16(17)18/h4-10,18-19H,11-12,20H2,1-3H3
InChIKeyKTYRUBDUKISWLC-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(aminomethyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid
CID 82583980
[7-tert-butyl-4-(3-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584026
1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 82584746
[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583874
(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584748
[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583930
(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 71497003
[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584140
1,2-dimethyl-4-(3-methylphenyl)pyrrolidine
CID 170012396
(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 71497717
[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455094
[3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol
CID 82112971

Frequently Asked Questions

What is the IUPAC name of [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82583894) is [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is Cc1cccc(C2CN(C)C(CN)c3cc(C)ccc32)c1.
What is the InChIKey of [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is KTYRUBDUKISWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-13-5-4-6-15(9-13)18-12-21(3)19(11-20)17-10-14(2)7-8-16(17)18/h4-10,18-19H,11-12,20H2,1-3H3.
What are the key properties of [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82583894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).