4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride

C9H14ClNO2 — CID 90673533

IUPAC4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
SMILESC[C@H](N)[C@@H](O)c1ccc(O)cc1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-6(10)9(12)7-2-4-8(11)5-3-7;/h2-6,9,11-12H,10H2,1H3;1H/t6-,9+;/m0./s1
InChIKeyAYEOOGDUDIHXQE-RDNZEXAOSA-N
MW203.67 g/mol
LogP1.19
Rot. Bonds2

About 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride

4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride (PubChem CID 90673533) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
PubChem CID90673533
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
SMILESC[C@H](N)[C@@H](O)c1ccc(O)cc1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-6(10)9(12)7-2-4-8(11)5-3-7;/h2-6,9,11-12H,10H2,1H3;1H/t6-,9+;/m0./s1
InChIKeyAYEOOGDUDIHXQE-RDNZEXAOSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
4-(1,2-diaminopropyl)phenol
CID 24841393
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium
CID 6931144
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride
CID 131882584
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride?
The IUPAC name of 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride (CID 90673533) is 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride.
What is the SMILES notation for 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride?
The canonical SMILES for 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride is C[C@H](N)[C@@H](O)c1ccc(O)cc1.Cl.
What is the InChIKey of 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride?
The InChIKey is AYEOOGDUDIHXQE-RDNZEXAOSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-6(10)9(12)7-2-4-8(11)5-3-7;/h2-6,9,11-12H,10H2,1H3;1H/t6-,9+;/m0./s1.
What are the key properties of 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride?
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride is sourced from PubChem (CID 90673533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).