N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine

C18H18N2 — CID 81224832

IUPACN-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine
SMILESCNCc1ccc(-c2cccc3cccnc23)c(C)c1
InChIInChI=1S/C18H18N2/c1-13-11-14(12-19-2)8-9-16(13)17-7-3-5-15-6-4-10-20-18(15)17/h3-11,19H,12H2,1-2H3
InChIKeyMLZYQOIBCSHVBM-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.93
Rot. Bonds3

About N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine

N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine (PubChem CID 81224832) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine
PubChem CID81224832
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine
SMILESCNCc1ccc(-c2cccc3cccnc23)c(C)c1
InChIInChI=1S/C18H18N2/c1-13-11-14(12-19-2)8-9-16(13)17-7-3-5-15-6-4-10-20-18(15)17/h3-11,19H,12H2,1-2H3
InChIKeyMLZYQOIBCSHVBM-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine (CID 81224832) is N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine is CNCc1ccc(-c2cccc3cccnc23)c(C)c1.
What is the InChIKey of N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine?
The InChIKey is MLZYQOIBCSHVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-11-14(12-19-2)8-9-16(13)17-7-3-5-15-6-4-10-20-18(15)17/h3-11,19H,12H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine?
N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine has a molecular weight of 262.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-4-quinolin-8-ylphenyl)methanamine is sourced from PubChem (CID 81224832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).