2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol

C10H14ClNO2 — CID 84681407

IUPAC2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol
SMILESCc1cc(O)c(C(O)C(C)N)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-5-3-9(13)7(4-8(5)11)10(14)6(2)12/h3-4,6,10,13-14H,12H2,1-2H3
InChIKeyPBXRAQJCKXKQEC-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.73
Rot. Bonds2

About 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol

2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol (PubChem CID 84681407) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol
PubChem CID84681407
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol
SMILESCc1cc(O)c(C(O)C(C)N)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-5-3-9(13)7(4-8(5)11)10(14)6(2)12/h3-4,6,10,13-14H,12H2,1-2H3
InChIKeyPBXRAQJCKXKQEC-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminoethyl]-4-chloro-5-methylphenol;hydrochloride
CID 175670800
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 84796743
4-chloro-5-methyl-2-propan-2-ylphenol
CID 160599975
2-[(1S)-1-aminoethyl]-4,5-dichlorophenol
CID 96708426
3-(2-amino-1-hydroxypropyl)-4-chlorophenol
CID 84670328
(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 131146815
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol
CID 130770948
4-chloro-5-methyl-2-octan-2-ylphenol
CID 15788408
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol
CID 130749871
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
(1S)-1-(4-chloro-2-fluoro-5-methylphenyl)ethanamine
CID 55255941

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol?
The IUPAC name of 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol (CID 84681407) is 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol.
What is the SMILES notation for 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol?
The canonical SMILES for 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol is Cc1cc(O)c(C(O)C(C)N)cc1Cl.
What is the InChIKey of 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol?
The InChIKey is PBXRAQJCKXKQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-5-3-9(13)7(4-8(5)11)10(14)6(2)12/h3-4,6,10,13-14H,12H2,1-2H3.
What are the key properties of 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol?
2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol has a molecular weight of 215.68 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol is sourced from PubChem (CID 84681407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).