3-[(2-chlorophenyl)methylamino]propane-1,2-diol

C10H14ClNO2 — CID 57229220

IUPAC3-[(2-chlorophenyl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1ccccc1Cl
InChIInChI=1S/C10H14ClNO2/c11-10-4-2-1-3-8(10)5-12-6-9(14)7-13/h1-4,9,12-14H,5-7H2
InChIKeyXSOOFYFNOVKXFX-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.78
Rot. Bonds5

About 3-[(2-chlorophenyl)methylamino]propane-1,2-diol

3-[(2-chlorophenyl)methylamino]propane-1,2-diol (PubChem CID 57229220) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]propane-1,2-diol
PubChem CID57229220
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-[(2-chlorophenyl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1ccccc1Cl
InChIInChI=1S/C10H14ClNO2/c11-10-4-2-1-3-8(10)5-12-6-9(14)7-13/h1-4,9,12-14H,5-7H2
InChIKeyXSOOFYFNOVKXFX-UHFFFAOYSA-N
XLogP0.78
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
CID 96921213
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
1-(4-chlorophenoxy)-3-[(2-chlorophenyl)methylamino]propan-2-ol
CID 60635463
2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 60896560
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
2-[(2,3-dihydroxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77113883
4-[(2,3-dihydroxypropylamino)methyl]benzene-1,3-diol
CID 66176106
(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol
CID 165476502
2-[2-[(2,3-dihydroxypropylamino)methyl]phenoxy]acetonitrile
CID 66176329
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate
CID 103491926

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]propane-1,2-diol (CID 57229220) is 3-[(2-chlorophenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]propane-1,2-diol is OCC(O)CNCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]propane-1,2-diol?
The InChIKey is XSOOFYFNOVKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c11-10-4-2-1-3-8(10)5-12-6-9(14)7-13/h1-4,9,12-14H,5-7H2.
What are the key properties of 3-[(2-chlorophenyl)methylamino]propane-1,2-diol?
3-[(2-chlorophenyl)methylamino]propane-1,2-diol has a molecular weight of 215.68 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 57229220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).