[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol

C13H20ClNO — CID 114845343

IUPAC[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
SMILESCC(C)CCN(C)c1ccc(Cl)cc1CO
InChIInChI=1S/C13H20ClNO/c1-10(2)6-7-15(3)13-5-4-12(14)8-11(13)9-16/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyNICVSXHOFNXEFA-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.31
Rot. Bonds5

About [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol

[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol (PubChem CID 114845343) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
PubChem CID114845343
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
SMILESCC(C)CCN(C)c1ccc(Cl)cc1CO
InChIInChI=1S/C13H20ClNO/c1-10(2)6-7-15(3)13-5-4-12(14)8-11(13)9-16/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyNICVSXHOFNXEFA-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-4-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 107081165
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
5-chloro-2-[methyl(3-methylbutyl)amino]benzenecarbothioamide
CID 62494542
[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
CID 114845501
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol
CID 114853635
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
[5-chloro-2-[(2-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845316
2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
CID 114860497
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114848900
[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
CID 114845322
2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline
CID 107085166

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol?
The IUPAC name of [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol (CID 114845343) is [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol is CC(C)CCN(C)c1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol?
The InChIKey is NICVSXHOFNXEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(2)6-7-15(3)13-5-4-12(14)8-11(13)9-16/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol?
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol has a molecular weight of 241.76 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol is sourced from PubChem (CID 114845343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).