4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

C15H17FN2O — CID 139771105

IUPAC4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCN(C)c1onc2c1C(c1ccccc1F)CCC2
InChIInChI=1S/C15H17FN2O/c1-18(2)15-14-11(7-5-9-13(14)17-19-15)10-6-3-4-8-12(10)16/h3-4,6,8,11H,5,7,9H2,1-2H3
InChIKeyYCHXIJNGOBZNNL-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.35
Rot. Bonds2

About 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 139771105) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID139771105
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCN(C)c1onc2c1C(c1ccccc1F)CCC2
InChIInChI=1S/C15H17FN2O/c1-18(2)15-14-11(7-5-9-13(14)17-19-15)10-6-3-4-8-12(10)16/h3-4,6,8,11H,5,7,9H2,1-2H3
InChIKeyYCHXIJNGOBZNNL-UHFFFAOYSA-N
XLogP3.35
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-fluoro-4-phenylphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771063
N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771104
3-(2-fluorophenyl)oxan-2-one
CID 121220239
(2R)-2-(2-fluorophenyl)cyclobutan-1-one
CID 129416043
N-ethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771077
6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771071
[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126451015
1-cyclopentyl-2-fluorobenzene
CID 53415938
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982
4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride
CID 70437653
6-(2-fluorophenyl)-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
CID 103318033
(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 125478212

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 139771105) is 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is CN(C)c1onc2c1C(c1ccccc1F)CCC2.
What is the InChIKey of 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is YCHXIJNGOBZNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-18(2)15-14-11(7-5-9-13(14)17-19-15)10-6-3-4-8-12(10)16/h3-4,6,8,11H,5,7,9H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine has a molecular weight of 260.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 139771105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).