1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine

C18H18N2 — CID 107038031

IUPAC1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccc2cnccc2c1
InChIInChI=1S/C18H18N2/c1-14-4-2-3-5-17(14)12-20-11-15-6-7-18-13-19-9-8-16(18)10-15/h2-10,13,20H,11-12H2,1H3
InChIKeyBJUNNUCYGIPQSP-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.83
Rot. Bonds4

About 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine

1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 107038031) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
PubChem CID107038031
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccc2cnccc2c1
InChIInChI=1S/C18H18N2/c1-14-4-2-3-5-17(14)12-20-11-15-6-7-18-13-19-9-8-16(18)10-15/h2-10,13,20H,11-12H2,1H3
InChIKeyBJUNNUCYGIPQSP-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 107038302
N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 114955119
N-(isoquinolin-6-ylmethyl)-2-phenylsulfanylethanamine
CID 107038074
1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185996
5-chloro-N-(isoquinolin-6-ylmethyl)-2-methylaniline
CID 107037411
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
CID 107037421
1-isoquinolin-6-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 107038081
ethyl 2-(isoquinolin-6-ylmethylamino)acetate
CID 107038009
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine (CID 107038031) is 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine is Cc1ccccc1CNCc1ccc2cnccc2c1.
What is the InChIKey of 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is BJUNNUCYGIPQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-14-4-2-3-5-17(14)12-20-11-15-6-7-18-13-19-9-8-16(18)10-15/h2-10,13,20H,11-12H2,1H3.
What are the key properties of 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine?
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 262.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 107038031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).