4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane

C11H19NO2 — CID 143560226

IUPAC4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
SMILESCC.N[C@@H](CO)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO2.C2H6/c10-8(6-11)5-7-1-3-9(12)4-2-7;1-2/h1-4,8,11-12H,5-6,10H2;1-2H3/t8-;/m1./s1
InChIKeyWBGHMTOCOMRSBY-DDWIOCJRSA-N
MW197.28 g/mol
LogP1.28
Rot. Bonds3

About 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane

4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane (PubChem CID 143560226) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane.

Molecular Properties

Compound Name4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
PubChem CID143560226
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
SMILESCC.N[C@@H](CO)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO2.C2H6/c10-8(6-11)5-7-1-3-9(12)4-2-7;1-2/h1-4,8,11-12H,5-6,10H2;1-2H3/t8-;/m1./s1
InChIKeyWBGHMTOCOMRSBY-DDWIOCJRSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-4-methylpentyl)phenol
CID 62754924
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
4-(2-aminooctyl)phenol
CID 69403996
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
4-(2-amino-3-hydroxypropyl)benzene-1,2-diol;hydrochloride
CID 170891857

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane?
The IUPAC name of 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane (CID 143560226) is 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane.
What is the SMILES notation for 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane?
The canonical SMILES for 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane is CC.N[C@@H](CO)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane?
The InChIKey is WBGHMTOCOMRSBY-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H13NO2.C2H6/c10-8(6-11)5-7-1-3-9(12)4-2-7;1-2/h1-4,8,11-12H,5-6,10H2;1-2H3/t8-;/m1./s1.
What are the key properties of 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane?
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane has a molecular weight of 197.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane is sourced from PubChem (CID 143560226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).