1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine

C17H29NO — CID 114874341

IUPAC1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccc(OCC)cc1
InChIInChI=1S/C17H29NO/c1-5-12-18-17(13-14(4)6-2)15-8-10-16(11-9-15)19-7-3/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyPLYCAZOYLUBZHO-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.56
Rot. Bonds9

About 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine

1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114874341) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID114874341
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccc(OCC)cc1
InChIInChI=1S/C17H29NO/c1-5-12-18-17(13-14(4)6-2)15-8-10-16(11-9-15)19-7-3/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyPLYCAZOYLUBZHO-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
N-[2-butan-2-ylsulfinyl-1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64651289
1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
1-(4-butoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 105083341
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102981170
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64613678

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine (CID 114874341) is 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is PLYCAZOYLUBZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-12-18-17(13-14(4)6-2)15-8-10-16(11-9-15)19-7-3/h8-11,14,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114874341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).