2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol

C16H18ClNO — CID 106818139

IUPAC2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
SMILESCc1cccc(NC(CO)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-3-5-14(8-11)18-16(10-19)13-7-6-12(2)15(17)9-13/h3-9,16,18-19H,10H2,1-2H3
InChIKeyYQMCQBXGEJYYGQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol

2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol (PubChem CID 106818139) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
PubChem CID106818139
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
SMILESCc1cccc(NC(CO)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-3-5-14(8-11)18-16(10-19)13-7-6-12(2)15(17)9-13/h3-9,16,18-19H,10H2,1-2H3
InChIKeyYQMCQBXGEJYYGQ-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
CID 61050381
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-iodophenyl)-2-(3-methylanilino)ethanol
CID 114283122
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61049384
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol (CID 106818139) is 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol is Cc1cccc(NC(CO)c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol?
The InChIKey is YQMCQBXGEJYYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-3-5-14(8-11)18-16(10-19)13-7-6-12(2)15(17)9-13/h3-9,16,18-19H,10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol?
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol has a molecular weight of 275.78 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol is sourced from PubChem (CID 106818139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).