2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol

C17H19ClFNO — CID 79046383

IUPAC2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol
SMILESCCC(CO)(Nc1cc(C)cc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-3-17(11-21,13-5-4-6-14(18)9-13)20-16-8-12(2)7-15(19)10-16/h4-10,20-21H,3,11H2,1-2H3
InChIKeyWHIBTPFQDCYSMU-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.50
Rot. Bonds5

About 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol

2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol (PubChem CID 79046383) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol
PubChem CID79046383
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol
SMILESCCC(CO)(Nc1cc(C)cc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-3-17(11-21,13-5-4-6-14(18)9-13)20-16-8-12(2)7-15(19)10-16/h4-10,20-21H,3,11H2,1-2H3
InChIKeyWHIBTPFQDCYSMU-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
CID 115940894
2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 114872860
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 61049075
2-amino-2-(3-chlorophenyl)butan-1-ol
CID 61054421
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049935
2-(2-bromoanilino)-2-(4-fluorophenyl)butan-1-ol
CID 61050041
2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol
CID 79049467
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869
2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol
CID 79047415
2-(3-bromophenyl)-2-(3-fluoro-5-methylanilino)propanoic acid
CID 79044474

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol (CID 79046383) is 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol is CCC(CO)(Nc1cc(C)cc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol?
The InChIKey is WHIBTPFQDCYSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-17(11-21,13-5-4-6-14(18)9-13)20-16-8-12(2)7-15(19)10-16/h4-10,20-21H,3,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol?
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol has a molecular weight of 307.80 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol is sourced from PubChem (CID 79046383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).