2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine

C18H31NO2 — CID 116760343

IUPAC2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(OC)c1)C(CC)(CC)OCC
InChIInChI=1S/C18H31NO2/c1-6-13-19-17(18(7-2,8-3)21-9-4)15-11-10-12-16(14-15)20-5/h10-12,14,17,19H,6-9,13H2,1-5H3
InChIKeyTYMYZHBFVUCSFQ-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.33
Rot. Bonds10

About 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine

2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine (PubChem CID 116760343) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
PubChem CID116760343
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(OC)c1)C(CC)(CC)OCC
InChIInChI=1S/C18H31NO2/c1-6-13-19-17(18(7-2,8-3)21-9-4)15-11-10-12-16(14-15)20-5/h10-12,14,17,19H,6-9,13H2,1-5H3
InChIKeyTYMYZHBFVUCSFQ-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 116759943
2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116760388
2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine
CID 116761475
N-[2-tert-butylsulfinyl-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 64653384
1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760306
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760422
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
CID 116760136

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine (CID 116760343) is 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine is CCCNC(c1cccc(OC)c1)C(CC)(CC)OCC.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine?
The InChIKey is TYMYZHBFVUCSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-13-19-17(18(7-2,8-3)21-9-4)15-11-10-12-16(14-15)20-5/h10-12,14,17,19H,6-9,13H2,1-5H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine?
2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116760343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).