2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol

C10H12ClNO3 — CID 84693061

IUPAC2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(C(N)CO)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H12ClNO3/c1-5-6(8(12)3-13)2-7(11)10-9(5)14-4-15-10/h2,8,13H,3-4,12H2,1H3
InChIKeyNXEHEFZGVBAPFW-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol

2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol (PubChem CID 84693061) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
PubChem CID84693061
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
SMILESCc1c(C(N)CO)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H12ClNO3/c1-5-6(8(12)3-13)2-7(11)10-9(5)14-4-15-10/h2,8,13H,3-4,12H2,1H3
InChIKeyNXEHEFZGVBAPFW-UHFFFAOYSA-N
XLogP1.37
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84704105
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84680593
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305862
2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117285168
(2S)-2-amino-2-(7-chloro-1,3-benzodioxol-5-yl)ethanol
CID 93471728
6-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117329398
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 84679955
ethyl 2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117462314
3-amino-3-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)propanoic acid
CID 117427318
2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
CID 83884323

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol (CID 84693061) is 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol is Cc1c(C(N)CO)cc(Cl)c2c1OCO2.
What is the InChIKey of 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is NXEHEFZGVBAPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-5-6(8(12)3-13)2-7(11)10-9(5)14-4-15-10/h2,8,13H,3-4,12H2,1H3.
What are the key properties of 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol?
2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol has a molecular weight of 229.66 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 84693061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).