4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline

C18H19N3 — CID 43458332

IUPAC4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1ccc2ncccc2c1
InChIInChI=1S/C18H19N3/c1-21(12-14-4-7-17(19)8-5-14)13-15-6-9-18-16(11-15)3-2-10-20-18/h2-11H,12-13,19H2,1H3
InChIKeyCMPNROUOTKRLRO-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.45
Rot. Bonds4

About 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline

4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline (PubChem CID 43458332) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
PubChem CID43458332
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1ccc2ncccc2c1
InChIInChI=1S/C18H19N3/c1-21(12-14-4-7-17(19)8-5-14)13-15-6-9-18-16(11-15)3-2-10-20-18/h2-11H,12-13,19H2,1H3
InChIKeyCMPNROUOTKRLRO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
CID 43209669
3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
CID 62008003
3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62895109
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline (CID 43458332) is 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline is CN(Cc1ccc(N)cc1)Cc1ccc2ncccc2c1.
What is the InChIKey of 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline?
The InChIKey is CMPNROUOTKRLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21(12-14-4-7-17(19)8-5-14)13-15-6-9-18-16(11-15)3-2-10-20-18/h2-11H,12-13,19H2,1H3.
What are the key properties of 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline?
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline 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 4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43458332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).