1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol

C16H26FNO2 — CID 60899933

IUPAC1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCc1cc(F)ccc1NCC(O)COC(C)CC(C)C
InChIInChI=1S/C16H26FNO2/c1-11(2)7-13(4)20-10-15(19)9-18-16-6-5-14(17)8-12(16)3/h5-6,8,11,13,15,18-19H,7,9-10H2,1-4H3
InChIKeyIRDHEGPBKXRMJX-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.36
Rot. Bonds8

About 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol

1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 60899933) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID60899933
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCc1cc(F)ccc1NCC(O)COC(C)CC(C)C
InChIInChI=1S/C16H26FNO2/c1-11(2)7-13(4)20-10-15(19)9-18-16-6-5-14(17)8-12(16)3/h5-6,8,11,13,15,18-19H,7,9-10H2,1-4H3
InChIKeyIRDHEGPBKXRMJX-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107592126
1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60897310
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898813
1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898993
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107583341
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60902028
1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 112726263
1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]benzonitrile
CID 60901635

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 60899933) is 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is Cc1cc(F)ccc1NCC(O)COC(C)CC(C)C.
What is the InChIKey of 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is IRDHEGPBKXRMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-11(2)7-13(4)20-10-15(19)9-18-16-6-5-14(17)8-12(16)3/h5-6,8,11,13,15,18-19H,7,9-10H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 60899933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).