1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol

C16H26FNO2 — CID 60902028

IUPAC1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCc1ccc(F)cc1NCC(O)COCCCC(C)C
InChIInChI=1S/C16H26FNO2/c1-12(2)5-4-8-20-11-15(19)10-18-16-9-14(17)7-6-13(16)3/h6-7,9,12,15,18-19H,4-5,8,10-11H2,1-3H3
InChIKeyVENSFCHPUAHPMT-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.36
Rot. Bonds9

About 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol

1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol (PubChem CID 60902028) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol
PubChem CID60902028
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCc1ccc(F)cc1NCC(O)COCCCC(C)C
InChIInChI=1S/C16H26FNO2/c1-12(2)5-4-8-20-11-15(19)10-18-16-9-14(17)7-6-13(16)3/h6-7,9,12,15,18-19H,4-5,8,10-11H2,1-3H3
InChIKeyVENSFCHPUAHPMT-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60902815
1-(3-fluoro-5-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 79055009
1-(3-bromo-4-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 63333784
1-(3,4-difluoroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60898960
1-(4-fluoro-3-methoxyanilino)-3-(4-methylpentoxy)propan-2-ol
CID 114839425
1-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-(4-methylpentoxy)propan-2-ol
CID 81352872
1-(2-butoxyethoxy)-3-(2-chloro-5-fluoroanilino)propan-2-ol
CID 107528089
1-(2-bromo-4,6-difluoroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900257
1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900494
1-(2,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60901251
1-(4-bromo-2,3-dichloroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 107788923
1-(4-methylpentoxy)-3-(3-propan-2-ylanilino)propan-2-ol
CID 60901755

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol (CID 60902028) is 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol is Cc1ccc(F)cc1NCC(O)COCCCC(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is VENSFCHPUAHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-12(2)5-4-8-20-11-15(19)10-18-16-9-14(17)7-6-13(16)3/h6-7,9,12,15,18-19H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol?
1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 60902028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).