(3-isoquinolin-4-yl-4-methylphenyl)methanamine

C17H16N2 — CID 105408814

IUPAC(3-isoquinolin-4-yl-4-methylphenyl)methanamine
SMILESCc1ccc(CN)cc1-c1cncc2ccccc12
InChIInChI=1S/C17H16N2/c1-12-6-7-13(9-18)8-16(12)17-11-19-10-14-4-2-3-5-15(14)17/h2-8,10-11H,9,18H2,1H3
InChIKeyYDAIMFWRVBCYJF-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.67
Rot. Bonds2

About (3-isoquinolin-4-yl-4-methylphenyl)methanamine

(3-isoquinolin-4-yl-4-methylphenyl)methanamine (PubChem CID 105408814) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-isoquinolin-4-yl-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-isoquinolin-4-yl-4-methylphenyl)methanamine
PubChem CID105408814
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(3-isoquinolin-4-yl-4-methylphenyl)methanamine
SMILESCc1ccc(CN)cc1-c1cncc2ccccc12
InChIInChI=1S/C17H16N2/c1-12-6-7-13(9-18)8-16(12)17-11-19-10-14-4-2-3-5-15(14)17/h2-8,10-11H,9,18H2,1H3
InChIKeyYDAIMFWRVBCYJF-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-isoquinolin-5-yl-4-methylphenyl)methanamine
CID 105408745
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile
CID 105409204
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
CID 158107406
N-[(4-isoquinolin-4-ylphenyl)methyl]propan-1-amine
CID 63938964
4-(3-methylfuran-2-yl)isoquinoline
CID 139238940
[3-methyl-2-(2-methylphenyl)-1H-indol-5-yl]methanamine
CID 156814165
[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methanamine
CID 105410096
3-isoquinolin-4-ylaniline
CID 22724137
2-[[4-(aminomethyl)-2-methylphenyl]methyl]phthalazin-1-one
CID 114479051
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804

Frequently Asked Questions

What is the IUPAC name of (3-isoquinolin-4-yl-4-methylphenyl)methanamine?
The IUPAC name of (3-isoquinolin-4-yl-4-methylphenyl)methanamine (CID 105408814) is (3-isoquinolin-4-yl-4-methylphenyl)methanamine.
What is the SMILES notation for (3-isoquinolin-4-yl-4-methylphenyl)methanamine?
The canonical SMILES for (3-isoquinolin-4-yl-4-methylphenyl)methanamine is Cc1ccc(CN)cc1-c1cncc2ccccc12.
What is the InChIKey of (3-isoquinolin-4-yl-4-methylphenyl)methanamine?
The InChIKey is YDAIMFWRVBCYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-6-7-13(9-18)8-16(12)17-11-19-10-14-4-2-3-5-15(14)17/h2-8,10-11H,9,18H2,1H3.
What are the key properties of (3-isoquinolin-4-yl-4-methylphenyl)methanamine?
(3-isoquinolin-4-yl-4-methylphenyl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isoquinolin-4-yl-4-methylphenyl)methanamine is sourced from PubChem (CID 105408814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).