4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine

C18H19N3 — CID 138645350

IUPAC4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine
SMILESCNCc1ccc(Cc2cc(N)nc3ccccc23)cc1
InChIInChI=1S/C18H19N3/c1-20-12-14-8-6-13(7-9-14)10-15-11-18(19)21-17-5-3-2-4-16(15)17/h2-9,11,20H,10,12H2,1H3,(H2,19,21)
InChIKeyZSPFJBUSKDPUNP-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.13
Rot. Bonds4

About 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine

4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine (PubChem CID 138645350) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine.

Molecular Properties

Compound Name4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine
PubChem CID138645350
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine
SMILESCNCc1ccc(Cc2cc(N)nc3ccccc23)cc1
InChIInChI=1S/C18H19N3/c1-20-12-14-8-6-13(7-9-14)10-15-11-18(19)21-17-5-3-2-4-16(15)17/h2-9,11,20H,10,12H2,1H3,(H2,19,21)
InChIKeyZSPFJBUSKDPUNP-UHFFFAOYSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol
CID 171501890
4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 154039588
borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676489
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
methyl 4-[(2-methylquinolin-4-yl)methyl]benzoate
CID 22282550
4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde
CID 22282606
N-(2-aminoquinolin-4-yl)formamide
CID 87318709
N-methyl-1-[2-(2-methylphenoxy)quinolin-4-yl]methanamine
CID 62298208
1-methyl-2-(methylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 59796097
N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine
CID 62281272

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine?
The IUPAC name of 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine (CID 138645350) is 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine.
What is the SMILES notation for 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine?
The canonical SMILES for 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine is CNCc1ccc(Cc2cc(N)nc3ccccc23)cc1.
What is the InChIKey of 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine?
The InChIKey is ZSPFJBUSKDPUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-20-12-14-8-6-13(7-9-14)10-15-11-18(19)21-17-5-3-2-4-16(15)17/h2-9,11,20H,10,12H2,1H3,(H2,19,21).
What are the key properties of 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine?
4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylaminomethyl)phenyl]methyl]quinolin-2-amine is sourced from PubChem (CID 138645350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).