[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride

C9H14ClNO — CID 162422631

IUPAC[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
SMILESC[C@H](N)c1ccccc1CO.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(10)9-5-3-2-4-8(9)6-11;/h2-5,7,11H,6,10H2,1H3;1H/t7-;/m0./s1
InChIKeyRHOFQOYMRAWHMF-FJXQXJEOSA-N
MW187.67 g/mol
LogP1.62
Rot. Bonds2

About [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride

[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride (PubChem CID 162422631) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
PubChem CID162422631
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
SMILESC[C@H](N)c1ccccc1CO.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(10)9-5-3-2-4-8(9)6-11;/h2-5,7,11H,6,10H2,1H3;1H/t7-;/m0./s1
InChIKeyRHOFQOYMRAWHMF-FJXQXJEOSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275
1-[2-(2,2-difluoroethyl)phenyl]ethanamine
CID 84660069
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
[2-[(1R)-1-aminopentyl]phenyl]methanol
CID 55297220
[2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol
CID 130298446
5-[2-(1-aminoethyl)phenyl]pentan-2-one
CID 123707343
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
[2-[1-[ethyl(methyl)amino]ethyl]phenyl]methanol
CID 23154315
[2-(1-bromopropyl)phenyl]methanol
CID 20523677
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-[3-(hydroxymethyl)-2-phenylphenyl]ethanol
CID 173050837
[2-(1-aminoethyl)-5-methoxyphenyl]methanol
CID 130042307

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride?
The IUPAC name of [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride (CID 162422631) is [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride is C[C@H](N)c1ccccc1CO.Cl.
What is the InChIKey of [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride?
The InChIKey is RHOFQOYMRAWHMF-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-7(10)9-5-3-2-4-8(9)6-11;/h2-5,7,11H,6,10H2,1H3;1H/t7-;/m0./s1.
What are the key properties of [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride?
[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 162422631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).