[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol

C12H18ClNO — CID 114845222

IUPAC[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
SMILESCCC(C)N(C)c1cc(Cl)ccc1CO
InChIInChI=1S/C12H18ClNO/c1-4-9(2)14(3)12-7-11(13)6-5-10(12)8-15/h5-7,9,15H,4,8H2,1-3H3
InChIKeyWTHUNEVGSWTXPU-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.07
Rot. Bonds4

About [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol

[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol (PubChem CID 114845222) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
PubChem CID114845222
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
SMILESCCC(C)N(C)c1cc(Cl)ccc1CO
InChIInChI=1S/C12H18ClNO/c1-4-9(2)14(3)12-7-11(13)6-5-10(12)8-15/h5-7,9,15H,4,8H2,1-3H3
InChIKeyWTHUNEVGSWTXPU-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
CID 114845855
[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
CID 114845260
[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 114845738
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
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
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
2-(bromomethyl)-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 107085009
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol
CID 114845516
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
CID 114845343

Frequently Asked Questions

What is the IUPAC name of [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol?
The IUPAC name of [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol (CID 114845222) is [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol.
What is the SMILES notation for [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol?
The canonical SMILES for [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol is CCC(C)N(C)c1cc(Cl)ccc1CO.
What is the InChIKey of [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol?
The InChIKey is WTHUNEVGSWTXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-4-9(2)14(3)12-7-11(13)6-5-10(12)8-15/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol?
[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol has a molecular weight of 227.73 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol is sourced from PubChem (CID 114845222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).