3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol

C10H12Cl3NO2 — CID 171859145

IUPAC3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol
SMILESCNCC(O)C(O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3NO2/c1-14-4-8(15)10(16)9-6(12)2-5(11)3-7(9)13/h2-3,8,10,14-16H,4H2,1H3
InChIKeyHEQHNCWWCBBJNC-UHFFFAOYSA-N
MW284.57 g/mol
LogP2.26
Rot. Bonds4

About 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol

3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol (PubChem CID 171859145) has the molecular formula C10H12Cl3NO2 and a molecular weight of 284.57 g/mol. Its IUPAC name is 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol
PubChem CID171859145
Molecular FormulaC10H12Cl3NO2
Molecular Weight284.57 g/mol
Exact Mass282.99
IUPAC Name3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol
SMILESCNCC(O)C(O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3NO2/c1-14-4-8(15)10(16)9-6(12)2-5(11)3-7(9)13/h2-3,8,10,14-16H,4H2,1H3
InChIKeyHEQHNCWWCBBJNC-UHFFFAOYSA-N
XLogP2.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.57
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol
CID 171859147
3-(methylamino)-1-(2,3,6-trichlorophenyl)propane-1,2-diol
CID 171859151
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
3-bromo-1-(2,4,6-trichlorophenyl)propane-1,2-diol
CID 171861192
1-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859245
1-anthracen-9-yl-3-(methylamino)propane-1,2-diol
CID 171858963
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193
S-[2,3-dihydroxy-3-(2,4,6-trichlorophenyl)propyl] ethanethioate
CID 170823146
N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830135
2-[5-chloro-2-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetic acid
CID 171858485
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829889
1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857436

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol (CID 171859145) is 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol is CNCC(O)C(O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol?
The InChIKey is HEQHNCWWCBBJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3NO2/c1-14-4-8(15)10(16)9-6(12)2-5(11)3-7(9)13/h2-3,8,10,14-16H,4H2,1H3.
What are the key properties of 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol?
3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol has a molecular weight of 284.57 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol is sourced from PubChem (CID 171859145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).