4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine

C18H19N3 — CID 106775528

IUPAC4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc(N(C)c2ncc(CN)c3ccccc23)cc1
InChIInChI=1S/C18H19N3/c1-13-7-9-15(10-8-13)21(2)18-17-6-4-3-5-16(17)14(11-19)12-20-18/h3-10,12H,11,19H2,1-2H3
InChIKeyAZQFMDWOFUOAMP-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.77
Rot. Bonds3

About 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine

4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine (PubChem CID 106775528) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
PubChem CID106775528
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
SMILESCc1ccc(N(C)c2ncc(CN)c3ccccc23)cc1
InChIInChI=1S/C18H19N3/c1-13-7-9-15(10-8-13)21(2)18-17-6-4-3-5-16(17)14(11-19)12-20-18/h3-10,12H,11,19H2,1-2H3
InChIKeyAZQFMDWOFUOAMP-UHFFFAOYSA-N
XLogP3.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
(1-methylisoquinolin-4-yl)methanamine
CID 105435219
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106775822
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106775173
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
CID 106776889
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
CID 106776497
4-(aminomethyl)-N-tert-butyl-N-prop-2-enylisoquinolin-1-amine
CID 106776621
5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
CID 79884611

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine (CID 106775528) is 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine is Cc1ccc(N(C)c2ncc(CN)c3ccccc23)cc1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine?
The InChIKey is AZQFMDWOFUOAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-7-9-15(10-8-13)21(2)18-17-6-4-3-5-16(17)14(11-19)12-20-18/h3-10,12H,11,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine?
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine is sourced from PubChem (CID 106775528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).