1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine

C19H20N2 — CID 78980832

IUPAC1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
SMILESCc1cccc(CNCc2cccc3cccnc23)c1C
InChIInChI=1S/C19H20N2/c1-14-6-3-8-17(15(14)2)12-20-13-18-9-4-7-16-10-5-11-21-19(16)18/h3-11,20H,12-13H2,1-2H3
InChIKeySGNSXTWCTWKZPZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.14
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine

1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine (PubChem CID 78980832) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
PubChem CID78980832
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
SMILESCc1cccc(CNCc2cccc3cccnc23)c1C
InChIInChI=1S/C19H20N2/c1-14-6-3-8-17(15(14)2)12-20-13-18-9-4-7-16-10-5-11-21-19(16)18/h3-11,20H,12-13H2,1-2H3
InChIKeySGNSXTWCTWKZPZ-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
CID 78980821
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-quinolin-8-ylmethanamine
CID 81426624
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine (CID 78980832) is 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine is Cc1cccc(CNCc2cccc3cccnc23)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine?
The InChIKey is SGNSXTWCTWKZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-6-3-8-17(15(14)2)12-20-13-18-9-4-7-16-10-5-11-21-19(16)18/h3-11,20H,12-13H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine?
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 78980832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).