4-amino-3-(2-methylquinolin-6-yl)butan-1-ol

C14H18N2O — CID 105379707

IUPAC4-amino-3-(2-methylquinolin-6-yl)butan-1-ol
SMILESCc1ccc2cc(C(CN)CCO)ccc2n1
InChIInChI=1S/C14H18N2O/c1-10-2-3-12-8-11(4-5-14(12)16-10)13(9-15)6-7-17/h2-5,8,13,17H,6-7,9,15H2,1H3
InChIKeyRSJIETHAONCHMF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.97
Rot. Bonds4

About 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol

4-amino-3-(2-methylquinolin-6-yl)butan-1-ol (PubChem CID 105379707) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-3-(2-methylquinolin-6-yl)butan-1-ol
PubChem CID105379707
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-amino-3-(2-methylquinolin-6-yl)butan-1-ol
SMILESCc1ccc2cc(C(CN)CCO)ccc2n1
InChIInChI=1S/C14H18N2O/c1-10-2-3-12-8-11(4-5-14(12)16-10)13(9-15)6-7-17/h2-5,8,13,17H,6-7,9,15H2,1H3
InChIKeyRSJIETHAONCHMF-UHFFFAOYSA-N
XLogP1.97
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
3-(dimethylamino)-1-(2-methylquinolin-6-yl)propan-1-ol
CID 113291153
N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine
CID 105378787
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464
N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378810
[2-methyl-1-(2-methylquinolin-6-yl)pentyl]hydrazine
CID 105327228
2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
CID 105379246
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
CID 171890989

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol?
The IUPAC name of 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol (CID 105379707) is 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol.
What is the SMILES notation for 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol?
The canonical SMILES for 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol is Cc1ccc2cc(C(CN)CCO)ccc2n1.
What is the InChIKey of 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol?
The InChIKey is RSJIETHAONCHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-2-3-12-8-11(4-5-14(12)16-10)13(9-15)6-7-17/h2-5,8,13,17H,6-7,9,15H2,1H3.
What are the key properties of 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol?
4-amino-3-(2-methylquinolin-6-yl)butan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methylquinolin-6-yl)butan-1-ol is sourced from PubChem (CID 105379707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).