2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol

C10H14ClNO3 — CID 84795067

IUPAC2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol
SMILESCOc1ccc(O)c(C(O)C(C)N)c1Cl
InChIInChI=1S/C10H14ClNO3/c1-5(12)10(14)8-6(13)3-4-7(15-2)9(8)11/h3-5,10,13-14H,12H2,1-2H3
InChIKeyRTMFESZAABNFCP-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.43
Rot. Bonds3

About 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol

2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol (PubChem CID 84795067) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol
PubChem CID84795067
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol
SMILESCOc1ccc(O)c(C(O)C(C)N)c1Cl
InChIInChI=1S/C10H14ClNO3/c1-5(12)10(14)8-6(13)3-4-7(15-2)9(8)11/h3-5,10,13-14H,12H2,1-2H3
InChIKeyRTMFESZAABNFCP-UHFFFAOYSA-N
XLogP1.43
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84794912
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
2-[(1S,2R)-2-amino-1-hydroxypropyl]benzene-1,3-diol
CID 130806183
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol
CID 131115673
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 84694392
2-[(1S)-1-aminoethyl]-6-chloro-3-methoxyphenol
CID 130804121
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
2-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3-methoxyphenol;hydrochloride
CID 171271799
2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol
CID 84679635

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol?
The IUPAC name of 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol (CID 84795067) is 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol.
What is the SMILES notation for 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol?
The canonical SMILES for 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol is COc1ccc(O)c(C(O)C(C)N)c1Cl.
What is the InChIKey of 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol?
The InChIKey is RTMFESZAABNFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-5(12)10(14)8-6(13)3-4-7(15-2)9(8)11/h3-5,10,13-14H,12H2,1-2H3.
What are the key properties of 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol?
2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol has a molecular weight of 231.68 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol is sourced from PubChem (CID 84795067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).