(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride

C16H20ClNO3 — CID 24815980

IUPAC(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
SMILESCOc1ccc(Oc2ccc(C[C@H](N)CO)cc2)cc1.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-19-14-6-8-16(9-7-14)20-15-4-2-12(3-5-15)10-13(17)11-18;/h2-9,13,18H,10-11,17H2,1H3;1H/t13-;/m0./s1
InChIKeyCWPQIQPEJFQDBD-ZOWNYOTGSA-N
MW309.79 g/mol
LogP2.77
Rot. Bonds6

About (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride

(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride (PubChem CID 24815980) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
PubChem CID24815980
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
SMILESCOc1ccc(Oc2ccc(C[C@H](N)CO)cc2)cc1.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-19-14-6-8-16(9-7-14)20-15-4-2-12(3-5-15)10-13(17)11-18;/h2-9,13,18H,10-11,17H2,1H3;1H/t13-;/m0./s1
InChIKeyCWPQIQPEJFQDBD-ZOWNYOTGSA-N
XLogP2.77
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(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
(2R)-2-amino-3-phenylpropan-1-ol;2-naphthalen-2-yloxynaphthalene
CID 70294493
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride (CID 24815980) is (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride is COc1ccc(Oc2ccc(C[C@H](N)CO)cc2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride?
The InChIKey is CWPQIQPEJFQDBD-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H19NO3.ClH/c1-19-14-6-8-16(9-7-14)20-15-4-2-12(3-5-15)10-13(17)11-18;/h2-9,13,18H,10-11,17H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride?
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 24815980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).