2-(2-chloroanilino)-2-methylbutan-1-ol

C11H16ClNO — CID 61047731

IUPAC2-(2-chloroanilino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-3-11(2,8-14)13-10-7-5-4-6-9(10)12/h4-7,13-14H,3,8H2,1-2H3
InChIKeyKRAJCJAWKBPFBU-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-chloroanilino)-2-methylbutan-1-ol

2-(2-chloroanilino)-2-methylbutan-1-ol (PubChem CID 61047731) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-methylbutan-1-ol
PubChem CID61047731
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(2-chloroanilino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-3-11(2,8-14)13-10-7-5-4-6-9(10)12/h4-7,13-14H,3,8H2,1-2H3
InChIKeyKRAJCJAWKBPFBU-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloroanilino)-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114834181
2-methyl-2-[2-(trifluoromethylsulfonyl)anilino]butan-1-ol
CID 64558011
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126820
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
CID 61047734
2-methyl-2-(2-methylanilino)propane-1,3-diol
CID 130509283
2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
CID 114868606
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111926481

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-methylbutan-1-ol?
The IUPAC name of 2-(2-chloroanilino)-2-methylbutan-1-ol (CID 61047731) is 2-(2-chloroanilino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(2-chloroanilino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(2-chloroanilino)-2-methylbutan-1-ol is CCC(C)(CO)Nc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-2-methylbutan-1-ol?
The InChIKey is KRAJCJAWKBPFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-11(2,8-14)13-10-7-5-4-6-9(10)12/h4-7,13-14H,3,8H2,1-2H3.
What are the key properties of 2-(2-chloroanilino)-2-methylbutan-1-ol?
2-(2-chloroanilino)-2-methylbutan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-methylbutan-1-ol is sourced from PubChem (CID 61047731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).