3-(2-methylbutoxy)quinolin-2-amine

C14H18N2O — CID 118174550

IUPAC3-(2-methylbutoxy)quinolin-2-amine
SMILESCCC(C)COc1cc2ccccc2nc1N
InChIInChI=1S/C14H18N2O/c1-3-10(2)9-17-13-8-11-6-4-5-7-12(11)16-14(13)15/h4-8,10H,3,9H2,1-2H3,(H2,15,16)
InChIKeyYZWADUOSJBYTTM-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.24
Rot. Bonds4

About 3-(2-methylbutoxy)quinolin-2-amine

3-(2-methylbutoxy)quinolin-2-amine (PubChem CID 118174550) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2-methylbutoxy)quinolin-2-amine.

Molecular Properties

Compound Name3-(2-methylbutoxy)quinolin-2-amine
PubChem CID118174550
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(2-methylbutoxy)quinolin-2-amine
SMILESCCC(C)COc1cc2ccccc2nc1N
InChIInChI=1S/C14H18N2O/c1-3-10(2)9-17-13-8-11-6-4-5-7-12(11)16-14(13)15/h4-8,10H,3,9H2,1-2H3,(H2,15,16)
InChIKeyYZWADUOSJBYTTM-UHFFFAOYSA-N
XLogP3.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutoxy)quinolin-2-amine?
The IUPAC name of 3-(2-methylbutoxy)quinolin-2-amine (CID 118174550) is 3-(2-methylbutoxy)quinolin-2-amine.
What is the SMILES notation for 3-(2-methylbutoxy)quinolin-2-amine?
The canonical SMILES for 3-(2-methylbutoxy)quinolin-2-amine is CCC(C)COc1cc2ccccc2nc1N.
What is the InChIKey of 3-(2-methylbutoxy)quinolin-2-amine?
The InChIKey is YZWADUOSJBYTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-10(2)9-17-13-8-11-6-4-5-7-12(11)16-14(13)15/h4-8,10H,3,9H2,1-2H3,(H2,15,16).
What are the key properties of 3-(2-methylbutoxy)quinolin-2-amine?
3-(2-methylbutoxy)quinolin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutoxy)quinolin-2-amine is sourced from PubChem (CID 118174550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).