1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol

C16H17ClFNO2 — CID 60903073

IUPAC1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COc1ccccc1F
InChIInChI=1S/C16H17ClFNO2/c1-11-6-7-12(17)8-15(11)19-9-13(20)10-21-16-5-3-2-4-14(16)18/h2-8,13,19-20H,9-10H2,1H3
InChIKeyXSBUXYZZNRRCEJ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.64
Rot. Bonds6

About 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol

1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 60903073) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
PubChem CID60903073
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COc1ccccc1F
InChIInChI=1S/C16H17ClFNO2/c1-11-6-7-12(17)8-15(11)19-9-13(20)10-21-16-5-3-2-4-14(16)18/h2-8,13,19-20H,9-10H2,1H3
InChIKeyXSBUXYZZNRRCEJ-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 81280813
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964
1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-[4-[(2S)-3-(5-chloro-2-methylanilino)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 8741288
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
CID 107364824
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol (CID 60903073) is 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol is Cc1ccc(Cl)cc1NCC(O)COc1ccccc1F.
What is the InChIKey of 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is XSBUXYZZNRRCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-11-6-7-12(17)8-15(11)19-9-13(20)10-21-16-5-3-2-4-14(16)18/h2-8,13,19-20H,9-10H2,1H3.
What are the key properties of 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol?
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 309.77 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 60903073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).