3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine

C16H22N2O — CID 105172258

IUPAC3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
SMILESCCOCCC(NC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-4-19-10-9-15(17-3)13-7-8-16-14(11-13)6-5-12(2)18-16/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyVVERPVNABWJOPR-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.23
Rot. Bonds6

About 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine

3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine (PubChem CID 105172258) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
PubChem CID105172258
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
SMILESCCOCCC(NC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-4-19-10-9-15(17-3)13-7-8-16-14(11-13)6-5-12(2)18-16/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyVVERPVNABWJOPR-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-ethoxy-1-(2-methylquinolin-6-yl)butyl]hydrazine
CID 105327215
N,4-dimethyl-1-(2-methylquinolin-6-yl)pentan-1-amine
CID 81231235
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
CID 81232115
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
3-(furan-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172256
2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 116721227
N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378829
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine
CID 105172214
N,2,2-trimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105020769
1-(2-methylquinolin-6-yl)-2-propoxyethanamine
CID 81231742

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine (CID 105172258) is 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine is CCOCCC(NC)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine?
The InChIKey is VVERPVNABWJOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-19-10-9-15(17-3)13-7-8-16-14(11-13)6-5-12(2)18-16/h5-8,11,15,17H,4,9-10H2,1-3H3.
What are the key properties of 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine?
3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine is sourced from PubChem (CID 105172258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).