2-(5-chloro-2-methylanilino)-1-phenylethanol

C15H16ClNO — CID 60721635

IUPAC2-(5-chloro-2-methylanilino)-1-phenylethanol
SMILESCc1ccc(Cl)cc1NCC(O)c1ccccc1
InChIInChI=1S/C15H16ClNO/c1-11-7-8-13(16)9-14(11)17-10-15(18)12-5-3-2-4-6-12/h2-9,15,17-18H,10H2,1H3
InChIKeyXCPSEYAYPVUARX-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.79
Rot. Bonds4

About 2-(5-chloro-2-methylanilino)-1-phenylethanol

2-(5-chloro-2-methylanilino)-1-phenylethanol (PubChem CID 60721635) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-1-phenylethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-1-phenylethanol
PubChem CID60721635
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(5-chloro-2-methylanilino)-1-phenylethanol
SMILESCc1ccc(Cl)cc1NCC(O)c1ccccc1
InChIInChI=1S/C15H16ClNO/c1-11-7-8-13(16)9-14(11)17-10-15(18)12-5-3-2-4-6-12/h2-9,15,17-18H,10H2,1H3
InChIKeyXCPSEYAYPVUARX-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

5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
3-(5-chloro-2-methylanilino)-2-phenylpropanoic acid
CID 64566430
2-(4-chloro-2-iodoanilino)-1-phenylethanol
CID 101467777
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide
CID 109020148
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
1-(4-fluoro-3-methylphenyl)-2-(2-methylanilino)ethanol
CID 82121205
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-1-phenylethanol?
The IUPAC name of 2-(5-chloro-2-methylanilino)-1-phenylethanol (CID 60721635) is 2-(5-chloro-2-methylanilino)-1-phenylethanol.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-1-phenylethanol?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-1-phenylethanol is Cc1ccc(Cl)cc1NCC(O)c1ccccc1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-1-phenylethanol?
The InChIKey is XCPSEYAYPVUARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-7-8-13(16)9-14(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-(5-chloro-2-methylanilino)-1-phenylethanol?
2-(5-chloro-2-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-(5-chloro-2-methylanilino)-1-phenylethanol is sourced from PubChem (CID 60721635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).