2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

C17H29NO — CID 116720818

IUPAC2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCOC(C(C)C)C(N)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H29NO/c1-6-19-17(13(4)5)16(18)15-9-7-8-14(11-15)10-12(2)3/h7-9,11-13,16-17H,6,10,18H2,1-5H3
InChIKeyPTNCIGQKFLMQGO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.95
Rot. Bonds7

About 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (PubChem CID 116720818) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
PubChem CID116720818
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCOC(C(C)C)C(N)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H29NO/c1-6-19-17(13(4)5)16(18)15-9-7-8-14(11-15)10-12(2)3/h7-9,11-13,16-17H,6,10,18H2,1-5H3
InChIKeyPTNCIGQKFLMQGO-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050722
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720952
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
1-(3-ethylphenyl)-2,3-dimethylbutan-1-amine
CID 105018856
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479
1-ethoxy-2-[3-(1-hydroxyethyl)phenyl]ethanol
CID 175219861

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The IUPAC name of 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (CID 116720818) is 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The canonical SMILES for 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is CCOC(C(C)C)C(N)c1cccc(CC(C)C)c1.
What is the InChIKey of 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The InChIKey is PTNCIGQKFLMQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-19-17(13(4)5)16(18)15-9-7-8-14(11-15)10-12(2)3/h7-9,11-13,16-17H,6,10,18H2,1-5H3.
What are the key properties of 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is sourced from PubChem (CID 116720818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).