2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine

C17H29NO2 — CID 116717020

IUPAC2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(NCC)C(CC)OCC)cc1
InChIInChI=1S/C17H29NO2/c1-5-13-20-15-11-9-14(10-12-15)17(18-7-3)16(6-2)19-8-4/h9-12,16-18H,5-8,13H2,1-4H3
InChIKeyIKFIXSWTJDNHAH-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds10

About 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine

2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine (PubChem CID 116717020) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine
PubChem CID116717020
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(NCC)C(CC)OCC)cc1
InChIInChI=1S/C17H29NO2/c1-5-13-20-15-11-9-14(10-12-15)17(18-7-3)16(6-2)19-8-4/h9-12,16-18H,5-8,13H2,1-4H3
InChIKeyIKFIXSWTJDNHAH-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 114519795
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
CID 65092226
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 62796998
N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
CID 115853346

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine (CID 116717020) is 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine is CCCOc1ccc(C(NCC)C(CC)OCC)cc1.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine?
The InChIKey is IKFIXSWTJDNHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-13-20-15-11-9-14(10-12-15)17(18-7-3)16(6-2)19-8-4/h9-12,16-18H,5-8,13H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine?
2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine is sourced from PubChem (CID 116717020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).