2-[[benzyl(methyl)amino]methyl]quinolin-4-amine

C18H19N3 — CID 115485704

IUPAC2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
SMILESCN(Cc1ccccc1)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C18H19N3/c1-21(12-14-7-3-2-4-8-14)13-15-11-17(19)16-9-5-6-10-18(16)20-15/h2-11H,12-13H2,1H3,(H2,19,20)
InChIKeyZMDYMYCRPBXZBV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.45
Rot. Bonds4

About 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine

2-[[benzyl(methyl)amino]methyl]quinolin-4-amine (PubChem CID 115485704) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
PubChem CID115485704
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
SMILESCN(Cc1ccccc1)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C18H19N3/c1-21(12-14-7-3-2-4-8-14)13-15-11-17(19)16-9-5-6-10-18(16)20-15/h2-11H,12-13H2,1H3,(H2,19,20)
InChIKeyZMDYMYCRPBXZBV-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115485894
2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine
CID 115485707
2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine
CID 115485727
2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
CID 115485759
2-[[ethyl(propyl)amino]methyl]quinolin-4-amine
CID 113319911
2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine
CID 112661176
2-(methoxymethyl)quinolin-4-amine
CID 62320068
2-pentylquinolin-4-amine
CID 14082309
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
CID 115485824
4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
CID 82183785
7-chloro-2-[[2-[[(4-methoxyphenyl)methyl-methylamino]methyl]phenyl]methyl]quinolin-4-amine
CID 90720784
2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
CID 115485755

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine (CID 115485704) is 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine is CN(Cc1ccccc1)Cc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine?
The InChIKey is ZMDYMYCRPBXZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21(12-14-7-3-2-4-8-14)13-15-11-17(19)16-9-5-6-10-18(16)20-15/h2-11H,12-13H2,1H3,(H2,19,20).
What are the key properties of 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine?
2-[[benzyl(methyl)amino]methyl]quinolin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]quinolin-4-amine is sourced from PubChem (CID 115485704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).