[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol

C16H18ClNO — CID 114845516

IUPAC[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol
SMILESCc1ccc(N(C)c2cc(Cl)ccc2CO)c(C)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-7-15(12(2)8-11)18(3)16-9-14(17)6-5-13(16)10-19/h4-9,19H,10H2,1-3H3
InChIKeyPEGWNYMCSWDMAQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.22
Rot. Bonds3

About [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol

[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol (PubChem CID 114845516) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol
PubChem CID114845516
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol
SMILESCc1ccc(N(C)c2cc(Cl)ccc2CO)c(C)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-7-15(12(2)8-11)18(3)16-9-14(17)6-5-13(16)10-19/h4-9,19H,10H2,1-3H3
InChIKeyPEGWNYMCSWDMAQ-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(N,2,4-trimethylanilino)benzenecarbothioamide
CID 63519613
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 62494273
2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
CID 114845855
[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
CID 114845222
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365
1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566477
[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
CID 114845260
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
CID 114845519
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150
[4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol
CID 55117860

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol?
The IUPAC name of [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol (CID 114845516) is [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol?
The canonical SMILES for [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol is Cc1ccc(N(C)c2cc(Cl)ccc2CO)c(C)c1.
What is the InChIKey of [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol?
The InChIKey is PEGWNYMCSWDMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-7-15(12(2)8-11)18(3)16-9-14(17)6-5-13(16)10-19/h4-9,19H,10H2,1-3H3.
What are the key properties of [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol?
[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol has a molecular weight of 275.78 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol is sourced from PubChem (CID 114845516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).