2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol

C11H16ClNO2 — CID 114845855

IUPAC2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
SMILESCC(CO)N(C)c1cc(Cl)ccc1CO
InChIInChI=1S/C11H16ClNO2/c1-8(6-14)13(2)11-5-10(12)4-3-9(11)7-15/h3-5,8,14-15H,6-7H2,1-2H3
InChIKeyFWNVOFGFMRZDCY-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.65
Rot. Bonds4

About 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol

2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol (PubChem CID 114845855) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol.

Molecular Properties

Compound Name2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
PubChem CID114845855
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
SMILESCC(CO)N(C)c1cc(Cl)ccc1CO
InChIInChI=1S/C11H16ClNO2/c1-8(6-14)13(2)11-5-10(12)4-3-9(11)7-15/h3-5,8,14-15H,6-7H2,1-2H3
InChIKeyFWNVOFGFMRZDCY-UHFFFAOYSA-N
XLogP1.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
CID 114845260
[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
CID 114845222
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 114845738
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63082311
5-chloro-2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 114846814
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol
CID 114845516
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633
2-(bromomethyl)-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 107085009
4-chloro-2-[methyl(pentan-2-yl)amino]benzenecarbothioamide
CID 55180605

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol?
The IUPAC name of 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol (CID 114845855) is 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol.
What is the SMILES notation for 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol?
The canonical SMILES for 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol is CC(CO)N(C)c1cc(Cl)ccc1CO.
What is the InChIKey of 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol?
The InChIKey is FWNVOFGFMRZDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-8(6-14)13(2)11-5-10(12)4-3-9(11)7-15/h3-5,8,14-15H,6-7H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol?
2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol is sourced from PubChem (CID 114845855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).