1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine

C18H23N3 — CID 82584740

IUPAC1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
SMILESCN1CC(N(C)c2ccccc2)c2ccccc2C1CN
InChIInChI=1S/C18H23N3/c1-20-13-18(21(2)14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(20)12-19/h3-11,17-18H,12-13,19H2,1-2H3
InChIKeyVNVYROLRGQZZMP-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.81
Rot. Bonds3

About 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine

1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine (PubChem CID 82584740) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
PubChem CID82584740
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
SMILESCN1CC(N(C)c2ccccc2)c2ccccc2C1CN
InChIInChI=1S/C18H23N3/c1-20-13-18(21(2)14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(20)12-19/h3-11,17-18H,12-13,19H2,1-2H3
InChIKeyVNVYROLRGQZZMP-UHFFFAOYSA-N
XLogP2.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-7-tert-butyl-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 134126463
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
[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584768
(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584074
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline
CID 117408815
(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 83693378
1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine
CID 82544949
[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583894
3-[1-(aminomethyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid
CID 82583980
(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584838
1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 79983171

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine?
The IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine (CID 82584740) is 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine?
The canonical SMILES for 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine is CN1CC(N(C)c2ccccc2)c2ccccc2C1CN.
What is the InChIKey of 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine?
The InChIKey is VNVYROLRGQZZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-20-13-18(21(2)14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(20)12-19/h3-11,17-18H,12-13,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine?
1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine is sourced from PubChem (CID 82584740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).