1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol

C15H24FNO2 — CID 60896633

IUPAC1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNc1cccc(F)c1
InChIInChI=1S/C15H24FNO2/c1-12(2)5-4-8-19-11-15(18)10-17-14-7-3-6-13(16)9-14/h3,6-7,9,12,15,17-18H,4-5,8,10-11H2,1-2H3
InChIKeyPZJFDMQZUGXPKT-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.05
Rot. Bonds9

About 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol

1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol (PubChem CID 60896633) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol
PubChem CID60896633
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNc1cccc(F)c1
InChIInChI=1S/C15H24FNO2/c1-12(2)5-4-8-19-11-15(18)10-17-14-7-3-6-13(16)9-14/h3,6-7,9,12,15,17-18H,4-5,8,10-11H2,1-2H3
InChIKeyPZJFDMQZUGXPKT-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.05
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

CID 3144953
CID 3144953
CID 91551
CID 91551
CID 206126
CID 206126
CID 3144954
CID 3144954
CID 354829
CID 354829
CID 211596
CID 211596
CID 211597
CID 211597
CID 211598
CID 211598
CID 3016394
CID 3016394
CID 316366
CID 316366
CID 2880916
CID 2880916
CID 129012160
CID 129012160

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol (CID 60896633) is 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol is CC(C)CCCOCC(O)CNc1cccc(F)c1.
What is the InChIKey of 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is PZJFDMQZUGXPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-12(2)5-4-8-19-11-15(18)10-17-14-7-3-6-13(16)9-14/h3,6-7,9,12,15,17-18H,4-5,8,10-11H2,1-2H3.
What are the key properties of 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol?
1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 60896633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).