N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine

C24H22N2 — CID 7356370

IUPACN-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
SMILESCc1cccc(CNCc2ccc(-c3ccccc3)c3ccncc23)c1
InChIInChI=1S/C24H22N2/c1-18-6-5-7-19(14-18)15-26-16-21-10-11-22(20-8-3-2-4-9-20)23-12-13-25-17-24(21)23/h2-14,17,26H,15-16H2,1H3
InChIKeyRRKDZZYWKOEUBI-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.50
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine

N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine (PubChem CID 7356370) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
PubChem CID7356370
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC NameN-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
SMILESCc1cccc(CNCc2ccc(-c3ccccc3)c3ccncc23)c1
InChIInChI=1S/C24H22N2/c1-18-6-5-7-19(14-18)15-26-16-21-10-11-22(20-8-3-2-4-9-20)23-12-13-25-17-24(21)23/h2-14,17,26H,15-16H2,1H3
InChIKeyRRKDZZYWKOEUBI-UHFFFAOYSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
CID 42797597
2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7327457
1-benzyl-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea
CID 7362545
2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol
CID 42797606
3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
CID 7439016
1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide
CID 130465524
N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714
1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 54803840
1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62823366
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine (CID 7356370) is N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine is Cc1cccc(CNCc2ccc(-c3ccccc3)c3ccncc23)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine?
The InChIKey is RRKDZZYWKOEUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-18-6-5-7-19(14-18)15-26-16-21-10-11-22(20-8-3-2-4-9-20)23-12-13-25-17-24(21)23/h2-14,17,26H,15-16H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine?
N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine has a molecular weight of 338.45 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine is sourced from PubChem (CID 7356370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).