3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol

C14H23NO2 — CID 64812605

IUPAC3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccc(OCC)cc1
InChIInChI=1S/C14H23NO2/c1-3-10-15-14(9-11-16)12-5-7-13(8-6-12)17-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyWVGSESXJBFUEDN-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds8

About 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol

3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol (PubChem CID 64812605) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
PubChem CID64812605
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccc(OCC)cc1
InChIInChI=1S/C14H23NO2/c1-3-10-15-14(9-11-16)12-5-7-13(8-6-12)17-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyWVGSESXJBFUEDN-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102981170
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64613678
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
CID 82850496

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol?
The IUPAC name of 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol (CID 64812605) is 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol?
The canonical SMILES for 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol is CCCNC(CCO)c1ccc(OCC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol?
The InChIKey is WVGSESXJBFUEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-10-15-14(9-11-16)12-5-7-13(8-6-12)17-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol?
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol is sourced from PubChem (CID 64812605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).