2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol

C14H19N3O — CID 113425931

IUPAC2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol
SMILESCc1cc(N(C)C(C)CO)c2cc(N)ccc2n1
InChIInChI=1S/C14H19N3O/c1-9-6-14(17(3)10(2)8-18)12-7-11(15)4-5-13(12)16-9/h4-7,10,18H,8,15H2,1-3H3
InChIKeyZEAARLFAGKAOQF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.94
Rot. Bonds3

About 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol

2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol (PubChem CID 113425931) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol
PubChem CID113425931
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol
SMILESCc1cc(N(C)C(C)CO)c2cc(N)ccc2n1
InChIInChI=1S/C14H19N3O/c1-9-6-14(17(3)10(2)8-18)12-7-11(15)4-5-13(12)16-9/h4-7,10,18H,8,15H2,1-3H3
InChIKeyZEAARLFAGKAOQF-UHFFFAOYSA-N
XLogP1.94
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
2-(4-amino-N,2-dimethylanilino)propan-1-ol
CID 104551064
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683
6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489421
2-methyl-4-methylsulfanylquinolin-6-amine
CID 18007705
3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348264
4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine
CID 107397189
4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide
CID 104551127
4-[1-hydroxypropan-2-yl(methyl)amino]quinoline-2-carboxylic acid
CID 113426065
6-amino-N-ethyl-2-methylquinoline-4-carboxamide
CID 110489395
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol (CID 113425931) is 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol is Cc1cc(N(C)C(C)CO)c2cc(N)ccc2n1.
What is the InChIKey of 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol?
The InChIKey is ZEAARLFAGKAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-6-14(17(3)10(2)8-18)12-7-11(15)4-5-13(12)16-9/h4-7,10,18H,8,15H2,1-3H3.
What are the key properties of 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol?
2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 113425931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).