[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol

C11H16ClNO — CID 114845155

IUPAC[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
SMILESCC(C)N(C)c1ccc(Cl)cc1CO
InChIInChI=1S/C11H16ClNO/c1-8(2)13(3)11-5-4-10(12)6-9(11)7-14/h4-6,8,14H,7H2,1-3H3
InChIKeySCWFMAQOYOHEBG-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.68
Rot. Bonds3

About [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol

[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol (PubChem CID 114845155) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
PubChem CID114845155
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
SMILESCC(C)N(C)c1ccc(Cl)cc1CO
InChIInChI=1S/C11H16ClNO/c1-8(2)13(3)11-5-4-10(12)6-9(11)7-14/h4-6,8,14H,7H2,1-3H3
InChIKeySCWFMAQOYOHEBG-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(chloromethyl)-N-methyl-N-propan-2-ylaniline
CID 114846318
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
CID 114845343
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
CID 114845855
[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
CID 114845501
[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
CID 114845222
1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol
CID 146429258
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
CID 114845260
[5-chloro-2-[(2-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845316
[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol
CID 114845469

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol?
The IUPAC name of [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol (CID 114845155) is [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol is CC(C)N(C)c1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol?
The InChIKey is SCWFMAQOYOHEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(2)13(3)11-5-4-10(12)6-9(11)7-14/h4-6,8,14H,7H2,1-3H3.
What are the key properties of [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol?
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol has a molecular weight of 213.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 114845155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).