(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol

C10H15NO2 — CID 28804581

IUPAC(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C[C@H](N)CO)c1
InChIInChI=1S/C10H15NO2/c1-13-10-4-2-3-8(6-10)5-9(11)7-12/h2-4,6,9,12H,5,7,11H2,1H3/t9-/m0/s1
InChIKeyMQFQMJOLDYSYPT-VIFPVBQESA-N
MW181.23 g/mol
LogP0.56
Rot. Bonds4

About (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol

(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol (PubChem CID 28804581) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
PubChem CID28804581
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C[C@H](N)CO)c1
InChIInChI=1S/C10H15NO2/c1-13-10-4-2-3-8(6-10)5-9(11)7-12/h2-4,6,9,12H,5,7,11H2,1H3/t9-/m0/s1
InChIKeyMQFQMJOLDYSYPT-VIFPVBQESA-N
XLogP0.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893627
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
[3-(2-amino-3-hydroxypropyl)phenyl] acetate
CID 170892004
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105133732
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol (CID 28804581) is (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol is COc1cccc(C[C@H](N)CO)c1.
What is the InChIKey of (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol?
The InChIKey is MQFQMJOLDYSYPT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-10-4-2-3-8(6-10)5-9(11)7-12/h2-4,6,9,12H,5,7,11H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol?
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 28804581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).