4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine

C17H29NO — CID 105171242

IUPAC4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1cccc(CC)c1
InChIInChI=1S/C17H29NO/c1-4-12-18-17(11-8-13-19-6-3)16-10-7-9-15(5-2)14-16/h7,9-10,14,17-18H,4-6,8,11-13H2,1-3H3
InChIKeyRJHZEKAMSOVYHV-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.11
Rot. Bonds10

About 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine

4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine (PubChem CID 105171242) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
PubChem CID105171242
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1cccc(CC)c1
InChIInChI=1S/C17H29NO/c1-4-12-18-17(11-8-13-19-6-3)16-10-7-9-15(5-2)14-16/h7,9-10,14,17-18H,4-6,8,11-13H2,1-3H3
InChIKeyRJHZEKAMSOVYHV-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116544588
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105141909
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine (CID 105171242) is 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine is CCCNC(CCCOCC)c1cccc(CC)c1.
What is the InChIKey of 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine?
The InChIKey is RJHZEKAMSOVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-12-18-17(11-8-13-19-6-3)16-10-7-9-15(5-2)14-16/h7,9-10,14,17-18H,4-6,8,11-13H2,1-3H3.
What are the key properties of 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine?
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 105171242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).