2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine

C18H31NO — CID 116717137

IUPAC2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C(CC)OCC
InChIInChI=1S/C18H31NO/c1-5-10-15-11-9-12-16(14-15)18(19-13-6-2)17(7-3)20-8-4/h9,11-12,14,17-19H,5-8,10,13H2,1-4H3
InChIKeyGLKSXHJLJIZQGT-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.49
Rot. Bonds10

About 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine

2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine (PubChem CID 116717137) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
PubChem CID116717137
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C(CC)OCC
InChIInChI=1S/C18H31NO/c1-5-10-15-11-9-12-16(14-15)18(19-13-6-2)17(7-3)20-8-4/h9,11-12,14,17-19H,5-8,10,13H2,1-4H3
InChIKeyGLKSXHJLJIZQGT-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine
CID 105050261
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717297
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116759318
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
CID 105188000

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine (CID 116717137) is 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine is CCCNC(c1cccc(CCC)c1)C(CC)OCC.
What is the InChIKey of 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine?
The InChIKey is GLKSXHJLJIZQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-10-15-11-9-12-16(14-15)18(19-13-6-2)17(7-3)20-8-4/h9,11-12,14,17-19H,5-8,10,13H2,1-4H3.
What are the key properties of 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine?
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine is sourced from PubChem (CID 116717137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).