2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine

C17H29NO — CID 116718350

IUPAC2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(CCC)OCC
InChIInChI=1S/C17H29NO/c1-5-8-16(19-7-3)17(18-13-6-2)15-11-9-14(4)10-12-15/h9-12,16-18H,5-8,13H2,1-4H3
InChIKeyGBYHEYSTIUFZMD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.24
Rot. Bonds9

About 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine

2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine (PubChem CID 116718350) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
PubChem CID116718350
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(CCC)OCC
InChIInChI=1S/C17H29NO/c1-5-8-16(19-7-3)17(18-13-6-2)15-11-9-14(4)10-12-15/h9-12,16-18H,5-8,13H2,1-4H3
InChIKeyGBYHEYSTIUFZMD-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
CID 106881995
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
2-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylpentan-1-amine
CID 116718323
1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 114519795
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
CID 106654457
[2-ethoxy-1-(4-ethylphenyl)pentyl]hydrazine
CID 105271510

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine (CID 116718350) is 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine is CCCNC(c1ccc(C)cc1)C(CCC)OCC.
What is the InChIKey of 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine?
The InChIKey is GBYHEYSTIUFZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-8-16(19-7-3)17(18-13-6-2)15-11-9-14(4)10-12-15/h9-12,16-18H,5-8,13H2,1-4H3.
What are the key properties of 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine?
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 116718350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).