3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol

C12H16Cl3NO — CID 114492766

IUPAC3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3NO/c1-3-12(17,4-2)7-16-11-9(14)5-8(13)6-10(11)15/h5-6,16-17H,3-4,7H2,1-2H3
InChIKeyMEABMYGJDQOAJY-UHFFFAOYSA-N
MW296.62 g/mol
LogP4.61
Rot. Bonds5

About 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol

3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol (PubChem CID 114492766) has the molecular formula C12H16Cl3NO and a molecular weight of 296.62 g/mol. Its IUPAC name is 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol
PubChem CID114492766
Molecular FormulaC12H16Cl3NO
Molecular Weight296.62 g/mol
Exact Mass295.03
IUPAC Name3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3NO/c1-3-12(17,4-2)7-16-11-9(14)5-8(13)6-10(11)15/h5-6,16-17H,3-4,7H2,1-2H3
InChIKeyMEABMYGJDQOAJY-UHFFFAOYSA-N
XLogP4.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline
CID 63425253
2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
CID 104643883
3-[(3,5-dichloro-4-fluoroanilino)methyl]pentan-3-ol
CID 107573798
methyl 2,2-dimethyl-3-(2,4,6-trichloroanilino)propanoate
CID 79623311
3-[(2-bromo-4-chloroanilino)methyl]pentan-3-ol
CID 114493426
3-[(2-amino-5-chloroanilino)methyl]pentan-3-ol
CID 115469059
3-[(4-bromo-2-chloroanilino)methyl]pentan-3-ol
CID 114492781
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
CID 114493143
3-[(2-bromo-4,6-dimethylanilino)methyl]pentan-3-ol
CID 114493437
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol
CID 65332741
3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
CID 65108708

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol (CID 114492766) is 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol is CCC(O)(CC)CNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol?
The InChIKey is MEABMYGJDQOAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3NO/c1-3-12(17,4-2)7-16-11-9(14)5-8(13)6-10(11)15/h5-6,16-17H,3-4,7H2,1-2H3.
What are the key properties of 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol?
3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol has a molecular weight of 296.62 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol is sourced from PubChem (CID 114492766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).