5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol

C14H24FNO — CID 134447282

IUPAC5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(CC(C)NCC(C)(C)F)CCC=C1O
InChIInChI=1S/C14H24FNO/c1-10(16-9-14(3,4)15)8-12-6-5-7-13(17)11(12)2/h7,10,16-17H,5-6,8-9H2,1-4H3
InChIKeyZPHPPQNKVILVLH-UHFFFAOYSA-N
MW241.35 g/mol
LogP3.65
Rot. Bonds5

About 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol

5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol (PubChem CID 134447282) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol
PubChem CID134447282
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(CC(C)NCC(C)(C)F)CCC=C1O
InChIInChI=1S/C14H24FNO/c1-10(16-9-14(3,4)15)8-12-6-5-7-13(17)11(12)2/h7,10,16-17H,5-6,8-9H2,1-4H3
InChIKeyZPHPPQNKVILVLH-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol (CID 134447282) is 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol is CC1=C(CC(C)NCC(C)(C)F)CCC=C1O.
What is the InChIKey of 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is ZPHPPQNKVILVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO/c1-10(16-9-14(3,4)15)8-12-6-5-7-13(17)11(12)2/h7,10,16-17H,5-6,8-9H2,1-4H3.
What are the key properties of 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol?
5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 241.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 134447282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).