2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine

C18H19N3 — CID 43726392

IUPAC2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1NCc1cccc2cccnc12
InChIInChI=1S/C18H19N3/c1-21(2)17-11-4-3-10-16(17)20-13-15-8-5-7-14-9-6-12-19-18(14)15/h3-12,20H,13H2,1-2H3
InChIKeyUMGFFWDCTQIRDR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.91
Rot. Bonds4

About 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine (PubChem CID 43726392) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
PubChem CID43726392
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
SMILESCN(C)c1ccccc1NCc1cccc2cccnc12
InChIInChI=1S/C18H19N3/c1-21(2)17-11-4-3-10-16(17)20-13-15-8-5-7-14-9-6-12-19-18(14)15/h3-12,20H,13H2,1-2H3
InChIKeyUMGFFWDCTQIRDR-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
2-ethoxy-N-(quinolin-8-ylmethyl)aniline
CID 28612848
N-(quinolin-8-ylmethyl)aniline
CID 28610045
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
CID 107266353
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
CID 104777182
2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
CID 81426754

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine (CID 43726392) is 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine is CN(C)c1ccccc1NCc1cccc2cccnc12.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine?
The InChIKey is UMGFFWDCTQIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21(2)17-11-4-3-10-16(17)20-13-15-8-5-7-14-9-6-12-19-18(14)15/h3-12,20H,13H2,1-2H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 43726392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).