2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol

C16H26ClNO — CID 114868606

IUPAC2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
SMILESCC(C)CC(CO)(CC(C)C)Nc1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-12(2)9-16(11-19,10-13(3)4)18-15-8-6-5-7-14(15)17/h5-8,12-13,18-19H,9-11H2,1-4H3
InChIKeyFOBXLWWUZAXGNC-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.58
Rot. Bonds7

About 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol

2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol (PubChem CID 114868606) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol.

Molecular Properties

Compound Name2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
PubChem CID114868606
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
SMILESCC(C)CC(CO)(CC(C)C)Nc1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-12(2)9-16(11-19,10-13(3)4)18-15-8-6-5-7-14(15)17/h5-8,12-13,18-19H,9-11H2,1-4H3
InChIKeyFOBXLWWUZAXGNC-UHFFFAOYSA-N
XLogP4.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868098
2-(2-chloroanilino)-2-methylbutan-1-ol
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2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
CID 61047734
2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-chloro-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]benzoic acid
CID 107854812
2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114834181
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
2-(3-chloro-2-nitroanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107849238
2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
2-(2-chlorophenyl)-4-methylpentan-2-ol
CID 43810129

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol?
The IUPAC name of 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol (CID 114868606) is 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol.
What is the SMILES notation for 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol?
The canonical SMILES for 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol is CC(C)CC(CO)(CC(C)C)Nc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol?
The InChIKey is FOBXLWWUZAXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-12(2)9-16(11-19,10-13(3)4)18-15-8-6-5-7-14(15)17/h5-8,12-13,18-19H,9-11H2,1-4H3.
What are the key properties of 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol?
2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol has a molecular weight of 283.84 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol is sourced from PubChem (CID 114868606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).