(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

C18H22N2 — CID 82584074

IUPAC(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCC1C(c2ccccc2)c2ccccc2C(CN)N1C
InChIInChI=1S/C18H22N2/c1-13-18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12-19)20(13)2/h3-11,13,17-18H,12,19H2,1-2H3
InChIKeyHHNYPXKESASARC-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.15
Rot. Bonds2

About (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (PubChem CID 82584074) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
PubChem CID82584074
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCC1C(c2ccccc2)c2ccccc2C(CN)N1C
InChIInChI=1S/C18H22N2/c1-13-18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12-19)20(13)2/h3-11,13,17-18H,12,19H2,1-2H3
InChIKeyHHNYPXKESASARC-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584078
[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584082
(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584838
(1R,3S)-1,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 101147043
(1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 102284055
1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 82584740
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
4-chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalene
CID 63821012
1-ethyl-2,3-diphenyl-2,3-dihydro-1H-indene
CID 57262344
(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 83693378
1,3-dimethyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 20689381
[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583874

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The IUPAC name of (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (CID 82584074) is (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.
What is the SMILES notation for (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The canonical SMILES for (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is CC1C(c2ccccc2)c2ccccc2C(CN)N1C.
What is the InChIKey of (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The InChIKey is HHNYPXKESASARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12-19)20(13)2/h3-11,13,17-18H,12,19H2,1-2H3.
What are the key properties of (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is sourced from PubChem (CID 82584074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).