1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine

C15H25NO — CID 43481938

IUPAC1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCOc1ccc(C(NC)C(CC)CC)cc1
InChIInChI=1S/C15H25NO/c1-5-12(6-2)15(16-4)13-8-10-14(11-9-13)17-7-3/h8-12,15-16H,5-7H2,1-4H3
InChIKeyUACSVGLKHLOBGX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.78
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine

1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 43481938) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID43481938
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCOc1ccc(C(NC)C(CC)CC)cc1
InChIInChI=1S/C15H25NO/c1-5-12(6-2)15(16-4)13-8-10-14(11-9-13)17-7-3/h8-12,15-16H,5-7H2,1-4H3
InChIKeyUACSVGLKHLOBGX-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
CID 80604791
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
2-amino-3-(4-ethoxyphenyl)-3-(methylamino)propanoic acid
CID 116957355
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 115854887
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79052774
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
2-(4-ethoxyphenyl)propanedial
CID 3698706
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine (CID 43481938) is 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine is CCOc1ccc(C(NC)C(CC)CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is UACSVGLKHLOBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12(6-2)15(16-4)13-8-10-14(11-9-13)17-7-3/h8-12,15-16H,5-7H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 43481938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).