1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol

C13H18FNO — CID 106547043

IUPAC1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
SMILESCC(C)=CCNCC(O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-10(2)6-7-15-9-13(16)11-4-3-5-12(14)8-11/h3-6,8,13,15-16H,7,9H2,1-2H3
InChIKeySCRLSZJVYALNKZ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.41
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol

1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol (PubChem CID 106547043) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
PubChem CID106547043
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
SMILESCC(C)=CCNCC(O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-10(2)6-7-15-9-13(16)11-4-3-5-12(14)8-11/h3-6,8,13,15-16H,7,9H2,1-2H3
InChIKeySCRLSZJVYALNKZ-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
CID 103522681
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
CID 114331841
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
CID 60898398
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol
CID 138473214
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol (CID 106547043) is 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol is CC(C)=CCNCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol?
The InChIKey is SCRLSZJVYALNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(2)6-7-15-9-13(16)11-4-3-5-12(14)8-11/h3-6,8,13,15-16H,7,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol?
1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol is sourced from PubChem (CID 106547043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).