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

C16H18ClNO — CID 106818134

IUPAC2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
SMILESCc1ccc(C(CO)Nc2ccccc2C)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-11-7-8-13(9-14(11)17)16(10-19)18-15-6-4-3-5-12(15)2/h3-9,16,18-19H,10H2,1-2H3
InChIKeyDKDJQKLGNOXQNJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.10
Rot. Bonds4

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

2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol (PubChem CID 106818134) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
PubChem CID106818134
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
SMILESCc1ccc(C(CO)Nc2ccccc2C)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-11-7-8-13(9-14(11)17)16(10-19)18-15-6-4-3-5-12(15)2/h3-9,16,18-19H,10H2,1-2H3
InChIKeyDKDJQKLGNOXQNJ-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-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-(3-bromophenyl)-2-(2-methylanilino)ethanol
CID 61045334
2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
CID 115528113
2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
CID 61047365
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol
CID 61047518
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
CID 106818142
2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 106818131

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol (CID 106818134) is 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol is Cc1ccc(C(CO)Nc2ccccc2C)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol?
The InChIKey is DKDJQKLGNOXQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-7-8-13(9-14(11)17)16(10-19)18-15-6-4-3-5-12(15)2/h3-9,16,18-19H,10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol?
2-(3-chloro-4-methylphenyl)-2-(2-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-(2-methylanilino)ethanol is sourced from PubChem (CID 106818134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).