2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol

C14H23NO2 — CID 79415352

IUPAC2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cccc(OCC)c1
InChIInChI=1S/C14H23NO2/c1-3-6-12(10-15)14(16)11-7-5-8-13(9-11)17-4-2/h5,7-9,12,14,16H,3-4,6,10,15H2,1-2H3
InChIKeyRSXNPVXGHHFUKU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.49
Rot. Bonds7

About 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol

2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol (PubChem CID 79415352) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
PubChem CID79415352
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cccc(OCC)c1
InChIInChI=1S/C14H23NO2/c1-3-6-12(10-15)14(16)11-7-5-8-13(9-11)17-4-2/h5,7-9,12,14,16H,3-4,6,10,15H2,1-2H3
InChIKeyRSXNPVXGHHFUKU-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586
2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
CID 79412864
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
(1S,2R)-3-amino-2-methyl-1-[3-(2-propylpentoxy)phenyl]propan-1-ol
CID 118334144
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
3-bromo-1-(3-ethoxyphenyl)propane-1,2-diol
CID 171859918
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
chloro-(3-ethoxyphenyl)methanol
CID 141156919
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol (CID 79415352) is 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol is CCCC(CN)C(O)c1cccc(OCC)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol?
The InChIKey is RSXNPVXGHHFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-6-12(10-15)14(16)11-7-5-8-13(9-11)17-4-2/h5,7-9,12,14,16H,3-4,6,10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol?
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol is sourced from PubChem (CID 79415352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).