4-[(1R)-1-aminoethyl]phenol;hydrochloride

C8H12ClNO — CID 127264624

IUPAC4-[(1R)-1-aminoethyl]phenol;hydrochloride
SMILESC[C@@H](N)c1ccc(O)cc1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-6(9)7-2-4-8(10)5-3-7;/h2-6,10H,9H2,1H3;1H/t6-;/m1./s1
InChIKeyHNDFWZASJWHBCZ-FYZOBXCZSA-N
MW173.64 g/mol
LogP1.83
Rot. Bonds1

About 4-[(1R)-1-aminoethyl]phenol;hydrochloride

4-[(1R)-1-aminoethyl]phenol;hydrochloride (PubChem CID 127264624) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]phenol;hydrochloride
PubChem CID127264624
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name4-[(1R)-1-aminoethyl]phenol;hydrochloride
SMILESC[C@@H](N)c1ccc(O)cc1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-6(9)7-2-4-8(10)5-3-7;/h2-6,10H,9H2,1H3;1H/t6-;/m1./s1
InChIKeyHNDFWZASJWHBCZ-FYZOBXCZSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-(1,2-diaminopropyl)phenol
CID 24841393
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[(1S)-1-aminoethyl]phenol;(2R)-2-hydroxybutanedioic acid
CID 127256278
4-[5-(1-aminoethyl)-2-methylphenyl]phenol
CID 115036232
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
4-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171217740
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
methane;4-propan-2-ylphenol
CID 159328733

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]phenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminoethyl]phenol;hydrochloride (CID 127264624) is 4-[(1R)-1-aminoethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]phenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminoethyl]phenol;hydrochloride is C[C@@H](N)c1ccc(O)cc1.Cl.
What is the InChIKey of 4-[(1R)-1-aminoethyl]phenol;hydrochloride?
The InChIKey is HNDFWZASJWHBCZ-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-6(9)7-2-4-8(10)5-3-7;/h2-6,10H,9H2,1H3;1H/t6-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminoethyl]phenol;hydrochloride?
4-[(1R)-1-aminoethyl]phenol;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]phenol;hydrochloride is sourced from PubChem (CID 127264624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).