(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol

C10H15NO2 — CID 11788635

IUPAC(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C[C@H](N)CO)cc1
InChIInChI=1S/C10H15NO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-5,9,12H,6-7,11H2,1H3/t9-/m0/s1
InChIKeyGVLHBFBFUSPHJO-VIFPVBQESA-N
MW181.23 g/mol
LogP0.56
Rot. Bonds4

About (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol

(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 11788635) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
PubChem CID11788635
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C[C@H](N)CO)cc1
InChIInChI=1S/C10H15NO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-5,9,12H,6-7,11H2,1H3/t9-/m0/s1
InChIKeyGVLHBFBFUSPHJO-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-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
[(1R)-1-amino-2-(4-methoxyphenyl)ethyl]boronic acid
CID 129319392
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol (CID 11788635) is (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(C[C@H](N)CO)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is GVLHBFBFUSPHJO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-5,9,12H,6-7,11H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol?
(2S)-2-amino-3-(4-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-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 11788635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).