[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol

C13H20ClNO — CID 114845501

IUPAC[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
SMILESCN(CC(C)(C)C)c1ccc(Cl)cc1CO
InChIInChI=1S/C13H20ClNO/c1-13(2,3)9-15(4)12-6-5-11(14)7-10(12)8-16/h5-7,16H,8-9H2,1-4H3
InChIKeyKFWRRTLIBHYFCU-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.31
Rot. Bonds3

About [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol

[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol (PubChem CID 114845501) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
PubChem CID114845501
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
SMILESCN(CC(C)(C)C)c1ccc(Cl)cc1CO
InChIInChI=1S/C13H20ClNO/c1-13(2,3)9-15(4)12-6-5-11(14)7-10(12)8-16/h5-7,16H,8-9H2,1-4H3
InChIKeyKFWRRTLIBHYFCU-UHFFFAOYSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850364
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
CID 114845343
[5-chloro-2-[(2-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845316
4-chloro-N-(2,2-dimethylpropyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114850376
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429
[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
CID 114845322
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
CID 114845389
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
CID 114845519

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol?
The IUPAC name of [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol (CID 114845501) is [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol is CN(CC(C)(C)C)c1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol?
The InChIKey is KFWRRTLIBHYFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-13(2,3)9-15(4)12-6-5-11(14)7-10(12)8-16/h5-7,16H,8-9H2,1-4H3.
What are the key properties of [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol?
[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol has a molecular weight of 241.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 114845501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).