1-amino-4-(3-ethoxyphenyl)butan-2-ol

C12H19NO2 — CID 112517753

IUPAC1-amino-4-(3-ethoxyphenyl)butan-2-ol
SMILESCCOc1cccc(CCC(O)CN)c1
InChIInChI=1S/C12H19NO2/c1-2-15-12-5-3-4-10(8-12)6-7-11(14)9-13/h3-5,8,11,14H,2,6-7,9,13H2,1H3
InChIKeyFMMRPWRMDIKCOA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds6

About 1-amino-4-(3-ethoxyphenyl)butan-2-ol

1-amino-4-(3-ethoxyphenyl)butan-2-ol (PubChem CID 112517753) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-amino-4-(3-ethoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-ethoxyphenyl)butan-2-ol
PubChem CID112517753
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-amino-4-(3-ethoxyphenyl)butan-2-ol
SMILESCCOc1cccc(CCC(O)CN)c1
InChIInChI=1S/C12H19NO2/c1-2-15-12-5-3-4-10(8-12)6-7-11(14)9-13/h3-5,8,11,14H,2,6-7,9,13H2,1H3
InChIKeyFMMRPWRMDIKCOA-UHFFFAOYSA-N
XLogP1.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
1-[3-(2-aminoethoxy)phenyl]heptan-3-ol
CID 71016113
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
1-(3-ethoxyphenyl)pentan-2-amine
CID 84752930
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-ethoxyphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(3-ethoxyphenyl)butan-2-ol (CID 112517753) is 1-amino-4-(3-ethoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(3-ethoxyphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(3-ethoxyphenyl)butan-2-ol is CCOc1cccc(CCC(O)CN)c1.
What is the InChIKey of 1-amino-4-(3-ethoxyphenyl)butan-2-ol?
The InChIKey is FMMRPWRMDIKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-15-12-5-3-4-10(8-12)6-7-11(14)9-13/h3-5,8,11,14H,2,6-7,9,13H2,1H3.
What are the key properties of 1-amino-4-(3-ethoxyphenyl)butan-2-ol?
1-amino-4-(3-ethoxyphenyl)butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-ethoxyphenyl)butan-2-ol is sourced from PubChem (CID 112517753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).