2-(2-chloro-4-methylanilino)-1-phenylethanol

C15H16ClNO — CID 55026534

IUPAC2-(2-chloro-4-methylanilino)-1-phenylethanol
SMILESCc1ccc(NCC(O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-7-8-14(13(16)9-11)17-10-15(18)12-5-3-2-4-6-12/h2-9,15,17-18H,10H2,1H3
InChIKeyDPNFAGSWRCYOHC-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-chloro-4-methylanilino)-1-phenylethanol

2-(2-chloro-4-methylanilino)-1-phenylethanol (PubChem CID 55026534) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-1-phenylethanol
PubChem CID55026534
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(2-chloro-4-methylanilino)-1-phenylethanol
SMILESCc1ccc(NCC(O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-7-8-14(13(16)9-11)17-10-15(18)12-5-3-2-4-6-12/h2-9,15,17-18H,10H2,1H3
InChIKeyDPNFAGSWRCYOHC-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 60899627
1-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-methylanilino)ethanol
CID 60899628
2-(5-chloro-2-methylanilino)-1-phenylethanol
CID 60721635
4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
CID 103236425
2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60903681
2-(4-chloro-2-iodoanilino)-1-phenylethanol
CID 101467777
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
CID 79839104
2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 107606651
2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901348

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-1-phenylethanol?
The IUPAC name of 2-(2-chloro-4-methylanilino)-1-phenylethanol (CID 55026534) is 2-(2-chloro-4-methylanilino)-1-phenylethanol.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-1-phenylethanol?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-1-phenylethanol is Cc1ccc(NCC(O)c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-1-phenylethanol?
The InChIKey is DPNFAGSWRCYOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-7-8-14(13(16)9-11)17-10-15(18)12-5-3-2-4-6-12/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 2-(2-chloro-4-methylanilino)-1-phenylethanol?
2-(2-chloro-4-methylanilino)-1-phenylethanol has a molecular weight of 261.75 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-1-phenylethanol is sourced from PubChem (CID 55026534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).