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

C10H16ClNO2 — CID 131875869

IUPAC(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(C[C@H](N)CO)cc1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-13-10-4-2-8(3-5-10)6-9(11)7-12;/h2-5,9,12H,6-7,11H2,1H3;1H/t9-;/m0./s1
InChIKeyQIKAQGRDXZQCIS-FVGYRXGTSA-N
MW217.70 g/mol
LogP0.98
Rot. Bonds4

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

(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 131875869) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
PubChem CID131875869
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(C[C@H](N)CO)cc1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-13-10-4-2-8(3-5-10)6-9(11)7-12;/h2-5,9,12H,6-7,11H2,1H3;1H/t9-;/m0./s1
InChIKeyQIKAQGRDXZQCIS-FVGYRXGTSA-N
XLogP0.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.98
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
CID 11788635
(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
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
[(1R)-1-amino-2-(4-methoxyphenyl)ethyl]boronic acid
CID 129319392

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride (CID 131875869) is (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride is COc1ccc(C[C@H](N)CO)cc1.Cl.
What is the InChIKey of (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is QIKAQGRDXZQCIS-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-13-10-4-2-8(3-5-10)6-9(11)7-12;/h2-5,9,12H,6-7,11H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride?
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.98, 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;hydrochloride is sourced from PubChem (CID 131875869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).