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

C13H21NO3 — CID 154008770

IUPAC(2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C[C@@H](CO)NCC(C)O)cc1
InChIInChI=1S/C13H21NO3/c1-10(16)8-14-12(9-15)7-11-3-5-13(17-2)6-4-11/h3-6,10,12,14-16H,7-9H2,1-2H3/t10?,12-/m0/s1
InChIKeyGUYYEODKPISXTC-KFJBMODSSA-N
MW239.32 g/mol
LogP0.57
Rot. Bonds7

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

(2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 154008770) has the molecular formula C13H21NO3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID154008770
Molecular FormulaC13H21NO3
Molecular Weight239.32 g/mol
Exact Mass239.15
IUPAC Name(2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C[C@@H](CO)NCC(C)O)cc1
InChIInChI=1S/C13H21NO3/c1-10(16)8-14-12(9-15)7-11-3-5-13(17-2)6-4-11/h3-6,10,12,14-16H,7-9H2,1-2H3/t10?,12-/m0/s1
InChIKeyGUYYEODKPISXTC-KFJBMODSSA-N
XLogP0.57
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
(2S)-3-[4-(2-ethoxyethoxy)phenyl]-2-[(4-methoxyphenyl)methylamino]propan-1-ol
CID 171057812
2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 118117352
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-(4-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61065170
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of (2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol (CID 154008770) is (2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(C[C@@H](CO)NCC(C)O)cc1.
What is the InChIKey of (2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is GUYYEODKPISXTC-KFJBMODSSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(16)8-14-12(9-15)7-11-3-5-13(17-2)6-4-11/h3-6,10,12,14-16H,7-9H2,1-2H3/t10?,12-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol?
(2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 154008770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).