2-(1-amino-3-hydroxypropyl)phenol;hydrochloride

C9H14ClNO2 — CID 170874374

IUPAC2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
SMILESCl.NC(CCO)c1ccccc1O
InChIInChI=1S/C9H13NO2.ClH/c10-8(5-6-11)7-3-1-2-4-9(7)12;/h1-4,8,11-12H,5-6,10H2;1H
InChIKeyTVQWYHSQZHXXMA-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.20
Rot. Bonds3

About 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride

2-(1-amino-3-hydroxypropyl)phenol;hydrochloride (PubChem CID 170874374) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
PubChem CID170874374
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
SMILESCl.NC(CCO)c1ccccc1O
InChIInChI=1S/C9H13NO2.ClH/c10-8(5-6-11)7-3-1-2-4-9(7)12;/h1-4,8,11-12H,5-6,10H2;1H
InChIKeyTVQWYHSQZHXXMA-UHFFFAOYSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1,3-diaminopropyl]phenol
CID 130872287
(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
2-[(1R)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171200975
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride
CID 66653312
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride
CID 171198651
2-(1-amino-2-fluoroethyl)phenol
CID 83815442
2-(1,6-diaminohexyl)phenol
CID 19366084
2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214501
3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride
CID 170874460
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride?
The IUPAC name of 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride (CID 170874374) is 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride.
What is the SMILES notation for 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride?
The canonical SMILES for 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride is Cl.NC(CCO)c1ccccc1O.
What is the InChIKey of 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride?
The InChIKey is TVQWYHSQZHXXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c10-8(5-6-11)7-3-1-2-4-9(7)12;/h1-4,8,11-12H,5-6,10H2;1H.
What are the key properties of 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride?
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-hydroxypropyl)phenol;hydrochloride is sourced from PubChem (CID 170874374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).