2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol

C10H14ClNO2 — CID 84681417

IUPAC2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(Cl)c1C(O)C(C)N
InChIInChI=1S/C10H14ClNO2/c1-6(12)10(13)9-7(11)4-3-5-8(9)14-2/h3-6,10,13H,12H2,1-2H3
InChIKeyDQTMOJACQPCYDG-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol

2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol (PubChem CID 84681417) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
PubChem CID84681417
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(Cl)c1C(O)C(C)N
InChIInChI=1S/C10H14ClNO2/c1-6(12)10(13)9-7(11)4-3-5-8(9)14-2/h3-6,10,13H,12H2,1-2H3
InChIKeyDQTMOJACQPCYDG-UHFFFAOYSA-N
XLogP1.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
CID 130848215
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 84694392
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 104818478
4-(2-chloro-6-methoxyphenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 104817908
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
methyl 4-amino-3-(2-chloro-6-methoxyphenyl)pentanoate
CID 104819020
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]butanenitrile
CID 104819040
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
2-(2-amino-1-hydroxypropyl)-3-chloro-4-methoxyphenol
CID 84795067
S-[3-(2-chloro-6-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170823155

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol (CID 84681417) is 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol is COc1cccc(Cl)c1C(O)C(C)N.
What is the InChIKey of 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol?
The InChIKey is DQTMOJACQPCYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-6(12)10(13)9-7(11)4-3-5-8(9)14-2/h3-6,10,13H,12H2,1-2H3.
What are the key properties of 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol?
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 84681417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).