3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine

C17H24N2O — CID 116724332

IUPAC3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine
SMILESCOC(C(N)Cc1ccc2ccccc2n1)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-17(2,3)16(20-4)14(18)11-13-10-9-12-7-5-6-8-15(12)19-13/h5-10,14,16H,11,18H2,1-4H3
InChIKeyABTKSRYUNAHZIE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.17
Rot. Bonds4

About 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine

3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine (PubChem CID 116724332) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine.

Molecular Properties

Compound Name3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine
PubChem CID116724332
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine
SMILESCOC(C(N)Cc1ccc2ccccc2n1)C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-17(2,3)16(20-4)14(18)11-13-10-9-12-7-5-6-8-15(12)19-13/h5-10,14,16H,11,18H2,1-4H3
InChIKeyABTKSRYUNAHZIE-UHFFFAOYSA-N
XLogP3.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-2-quinolin-2-ylethanamine
CID 43118775
1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724283
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
3-ethyl-3-methoxy-1-quinolin-2-ylpentan-2-ol
CID 116752757
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
1-(furan-2-yl)-2-quinolin-2-ylethanamine
CID 43118707
N-ethyl-3-methoxy-3-methyl-1-quinolin-2-ylpentan-2-amine
CID 116758103
3-methyl-4-quinolin-2-ylbutan-1-amine
CID 81014327
1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215601
5-ethoxy-1-quinolin-2-ylpentan-2-amine
CID 105159235

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine?
The IUPAC name of 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine (CID 116724332) is 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine.
What is the SMILES notation for 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine?
The canonical SMILES for 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine is COC(C(N)Cc1ccc2ccccc2n1)C(C)(C)C.
What is the InChIKey of 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine?
The InChIKey is ABTKSRYUNAHZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)16(20-4)14(18)11-13-10-9-12-7-5-6-8-15(12)19-13/h5-10,14,16H,11,18H2,1-4H3.
What are the key properties of 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine?
3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine has a molecular weight of 272.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine is sourced from PubChem (CID 116724332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).