2-amino-3-(3-methoxyphenyl)butan-1-ol

C11H17NO2 — CID 83907824

IUPAC2-amino-3-(3-methoxyphenyl)butan-1-ol
SMILESCOc1cccc(C(C)C(N)CO)c1
InChIInChI=1S/C11H17NO2/c1-8(11(12)7-13)9-4-3-5-10(6-9)14-2/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyOMMMNLQXQDBLGT-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.12
Rot. Bonds4

About 2-amino-3-(3-methoxyphenyl)butan-1-ol

2-amino-3-(3-methoxyphenyl)butan-1-ol (PubChem CID 83907824) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-amino-3-(3-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3-(3-methoxyphenyl)butan-1-ol
PubChem CID83907824
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-amino-3-(3-methoxyphenyl)butan-1-ol
SMILESCOc1cccc(C(C)C(N)CO)c1
InChIInChI=1S/C11H17NO2/c1-8(11(12)7-13)9-4-3-5-10(6-9)14-2/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyOMMMNLQXQDBLGT-UHFFFAOYSA-N
XLogP1.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
CID 118347436
(2S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
CID 118347456
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
CID 140960898
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
2-bromo-2-(3-methoxyphenyl)ethanol
CID 22371552
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
4-amino-2-(3-methoxyphenyl)butan-1-ol
CID 115020276
(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171239631

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-amino-3-(3-methoxyphenyl)butan-1-ol (CID 83907824) is 2-amino-3-(3-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-3-(3-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-amino-3-(3-methoxyphenyl)butan-1-ol is COc1cccc(C(C)C(N)CO)c1.
What is the InChIKey of 2-amino-3-(3-methoxyphenyl)butan-1-ol?
The InChIKey is OMMMNLQXQDBLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(11(12)7-13)9-4-3-5-10(6-9)14-2/h3-6,8,11,13H,7,12H2,1-2H3.
What are the key properties of 2-amino-3-(3-methoxyphenyl)butan-1-ol?
2-amino-3-(3-methoxyphenyl)butan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 83907824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).