3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol

C11H16ClNO3 — CID 79138086

IUPAC3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN)c(Cl)c1OC
InChIInChI=1S/C11H16ClNO3/c1-15-9-4-3-7(8(14)5-6-13)10(12)11(9)16-2/h3-4,8,14H,5-6,13H2,1-2H3
InChIKeyJGBYBBCSWPVDDV-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.74
Rot. Bonds5

About 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol

3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol (PubChem CID 79138086) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
PubChem CID79138086
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN)c(Cl)c1OC
InChIInChI=1S/C11H16ClNO3/c1-15-9-4-3-7(8(14)5-6-13)10(12)11(9)16-2/h3-4,8,14H,5-6,13H2,1-2H3
InChIKeyJGBYBBCSWPVDDV-UHFFFAOYSA-N
XLogP1.74
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol
CID 79566842
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171221531
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006173
1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 116932842
3-bromo-1-(2-chloro-3,4-dimethoxyphenyl)propane-1,2-diol
CID 171861224
(1R,2S)-1-amino-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171261628
1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 63895522
methyl 4-amino-3-(2-chloro-3,4-dimethoxyphenyl)butanoate
CID 66098501
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538
6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
CID 84680912

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol (CID 79138086) is 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol is COc1ccc(C(O)CCN)c(Cl)c1OC.
What is the InChIKey of 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is JGBYBBCSWPVDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-15-9-4-3-7(8(14)5-6-13)10(12)11(9)16-2/h3-4,8,14H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol?
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 245.71 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 79138086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).