N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine

C19H20N2 — CID 63939788

IUPACN-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)c1cncc2ccccc12
InChIInChI=1S/C19H20N2/c1-3-21-19(16-10-6-4-8-14(16)2)18-13-20-12-15-9-5-7-11-17(15)18/h4-13,19,21H,3H2,1-2H3
InChIKeyHNTCEZJQEOBTSN-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.24
Rot. Bonds4

About N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine

N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine (PubChem CID 63939788) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
PubChem CID63939788
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)c1cncc2ccccc12
InChIInChI=1S/C19H20N2/c1-3-21-19(16-10-6-4-8-14(16)2)18-13-20-12-15-9-5-7-11-17(15)18/h4-13,19,21H,3H2,1-2H3
InChIKeyHNTCEZJQEOBTSN-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-isoquinolin-4-ylmethyl]ethanamine
CID 115856168
N-[(3-chloro-4-pyridinyl)-isoquinolin-4-ylmethyl]ethanamine
CID 105147392
N-[(4-chlorophenyl)-isoquinolin-4-ylmethyl]ethanamine
CID 63941143
N-[isoquinolin-4-yl-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530931
N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine
CID 105094633
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203
N-[isoquinolin-4-yl-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115856366
N-ethyl-1-isoquinolin-4-ylbut-3-en-1-amine
CID 116660847
N-[(2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989694
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306387
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907

Frequently Asked Questions

What is the IUPAC name of N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine (CID 63939788) is N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccccc1C)c1cncc2ccccc12.
What is the InChIKey of N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine?
The InChIKey is HNTCEZJQEOBTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-3-21-19(16-10-6-4-8-14(16)2)18-13-20-12-15-9-5-7-11-17(15)18/h4-13,19,21H,3H2,1-2H3.
What are the key properties of N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine?
N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 63939788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).