2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol

C14H23NO2 — CID 83941663

IUPAC2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol
SMILESCCOc1ccc(CC(CN)CO)c(CC)c1
InChIInChI=1S/C14H23NO2/c1-3-12-8-14(17-4-2)6-5-13(12)7-11(9-15)10-16/h5-6,8,11,16H,3-4,7,9-10,15H2,1-2H3
InChIKeyIZLGIXLUJLGKAG-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.76
Rot. Bonds7

About 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol

2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol (PubChem CID 83941663) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol
PubChem CID83941663
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol
SMILESCCOc1ccc(CC(CN)CO)c(CC)c1
InChIInChI=1S/C14H23NO2/c1-3-12-8-14(17-4-2)6-5-13(12)7-11(9-15)10-16/h5-6,8,11,16H,3-4,7,9-10,15H2,1-2H3
InChIKeyIZLGIXLUJLGKAG-UHFFFAOYSA-N
XLogP1.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
CID 83932187
1-(3-bromopropyl)-4-ethoxy-2-ethylbenzene
CID 83941643
1-(4-ethoxy-2-ethylphenyl)heptan-4-amine
CID 83941650
1-bromo-3-[5-ethoxy-2-(hydroxymethyl)phenyl]propan-2-one
CID 134616886
4-(4-ethoxy-2-ethylphenyl)butanenitrile
CID 83941707
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83941785
3-amino-3-(4-ethoxy-2-ethylphenyl)propanoic acid
CID 3563423
3-(4-ethoxy-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83941673
2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
CID 83933372

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol (CID 83941663) is 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol is CCOc1ccc(CC(CN)CO)c(CC)c1.
What is the InChIKey of 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol?
The InChIKey is IZLGIXLUJLGKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-12-8-14(17-4-2)6-5-13(12)7-11(9-15)10-16/h5-6,8,11,16H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol?
2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol is sourced from PubChem (CID 83941663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).