1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol

C13H16N2O — CID 71255730

IUPAC1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol
SMILESCC(C)C(N)(O)c1ccnc2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(2)13(14,16)11-7-8-15-12-6-4-3-5-10(11)12/h3-9,16H,14H2,1-2H3
InChIKeyWMFSOUVDIVJEKU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.99
Rot. Bonds2

About 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol

1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol (PubChem CID 71255730) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol
PubChem CID71255730
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol
SMILESCC(C)C(N)(O)c1ccnc2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(2)13(14,16)11-7-8-15-12-6-4-3-5-10(11)12/h3-9,16H,14H2,1-2H3
InChIKeyWMFSOUVDIVJEKU-UHFFFAOYSA-N
XLogP1.99
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-3-quinolin-5-ylpentan-3-ol
CID 112743447
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
3-quinolin-4-ylheptan-3-ol
CID 174586649
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine
CID 112566954
CID 160608048
CID 160608048
4-(2-quinolin-4-yloxypropan-2-yl)quinoline
CID 173219055
9-tert-butylacridine;4-tert-butylquinoline;ethane
CID 167564366
(E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine
CID 103091924
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
2-quinolin-4-ylpropanoic acid
CID 127018626
3-methyl-2-(quinolin-4-ylmethylidene)butanal
CID 79335656

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol?
The IUPAC name of 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol (CID 71255730) is 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol.
What is the SMILES notation for 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol?
The canonical SMILES for 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol is CC(C)C(N)(O)c1ccnc2ccccc12.
What is the InChIKey of 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol?
The InChIKey is WMFSOUVDIVJEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)13(14,16)11-7-8-15-12-6-4-3-5-10(11)12/h3-9,16H,14H2,1-2H3.
What are the key properties of 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol?
1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol is sourced from PubChem (CID 71255730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).