4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride

C10H16ClNO2 — CID 131882584

IUPAC4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride
SMILESCc1cc(C(O)C(C)N)ccc1O.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-6-5-8(3-4-9(6)12)10(13)7(2)11;/h3-5,7,10,12-13H,11H2,1-2H3;1H
InChIKeyMPDVOQWXTLMVIE-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.50
Rot. Bonds2

About 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride

4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride (PubChem CID 131882584) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride
PubChem CID131882584
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride
SMILESCc1cc(C(O)C(C)N)ccc1O.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-6-5-8(3-4-9(6)12)10(13)7(2)11;/h3-5,7,10,12-13H,11H2,1-2H3;1H
InChIKeyMPDVOQWXTLMVIE-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
4-[(1S)-1-amino-2-methylbutyl]-2-methylphenol;hydrochloride
CID 171232746
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
1-amino-1-(4-hydroxy-3-methylphenyl)propan-2-one
CID 55295295
4-[1-hydroxy-2-(3-hydroxypropylamino)propyl]-2-methylphenol
CID 110183946
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724
(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
CID 130654274
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride?
The IUPAC name of 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride (CID 131882584) is 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride.
What is the SMILES notation for 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride?
The canonical SMILES for 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride is Cc1cc(C(O)C(C)N)ccc1O.Cl.
What is the InChIKey of 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride?
The InChIKey is MPDVOQWXTLMVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-6-5-8(3-4-9(6)12)10(13)7(2)11;/h3-5,7,10,12-13H,11H2,1-2H3;1H.
What are the key properties of 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride?
4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride is sourced from PubChem (CID 131882584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).