2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine

C16H27NO2 — CID 116721317

IUPAC2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1)C(OCC)C(C)C
InChIInChI=1S/C16H27NO2/c1-6-17-15(16(12(3)4)19-7-2)13-8-10-14(18-5)11-9-13/h8-12,15-17H,6-7H2,1-5H3
InChIKeyIEOSHIBYNFUZRM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds8

About 2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine

2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine (PubChem CID 116721317) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
PubChem CID116721317
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1)C(OCC)C(C)C
InChIInChI=1S/C16H27NO2/c1-6-17-15(16(12(3)4)19-7-2)13-8-10-14(18-5)11-9-13/h8-12,15-17H,6-7H2,1-5H3
InChIKeyIEOSHIBYNFUZRM-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721324
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568
N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
CID 82985129
N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
CID 64614912
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103433925
N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine
CID 63473474
2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116721522
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine (CID 116721317) is 2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine is CCNC(c1ccc(OC)cc1)C(OCC)C(C)C.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine?
The InChIKey is IEOSHIBYNFUZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-17-15(16(12(3)4)19-7-2)13-8-10-14(18-5)11-9-13/h8-12,15-17H,6-7H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine?
2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 8 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-methoxyphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 116721317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).