[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol

C13H20ClNO — CID 114845260

IUPAC[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
SMILESCCCC(C)N(C)c1cc(Cl)ccc1CO
InChIInChI=1S/C13H20ClNO/c1-4-5-10(2)15(3)13-8-12(14)7-6-11(13)9-16/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyRGJNHHAUFBHNJI-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.46
Rot. Bonds5

About [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol

[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol (PubChem CID 114845260) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
PubChem CID114845260
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
SMILESCCCC(C)N(C)c1cc(Cl)ccc1CO
InChIInChI=1S/C13H20ClNO/c1-4-5-10(2)15(3)13-8-12(14)7-6-11(13)9-16/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyRGJNHHAUFBHNJI-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol 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-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
CID 114845855
[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
CID 114845222
4-chloro-2-[methyl(pentan-2-yl)amino]benzenecarbothioamide
CID 55180605
[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol
CID 105066726
[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
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
5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline
CID 107080465
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol?
The IUPAC name of [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol (CID 114845260) is [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol?
The canonical SMILES for [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol is CCCC(C)N(C)c1cc(Cl)ccc1CO.
What is the InChIKey of [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol?
The InChIKey is RGJNHHAUFBHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-5-10(2)15(3)13-8-12(14)7-6-11(13)9-16/h6-8,10,16H,4-5,9H2,1-3H3.
What are the key properties of [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol?
[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol has a molecular weight of 241.76 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 114845260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).