[2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine

C15H17FN2O — CID 115066139

IUPAC[2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
SMILESNCC1CCc2oc(Cc3cccc(F)c3)nc2C1
InChIInChI=1S/C15H17FN2O/c16-12-3-1-2-10(6-12)8-15-18-13-7-11(9-17)4-5-14(13)19-15/h1-3,6,11H,4-5,7-9,17H2
InChIKeyKNPQOANLRPJRIT-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.47
Rot. Bonds3

About [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine

[2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine (PubChem CID 115066139) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
PubChem CID115066139
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name[2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
SMILESNCC1CCc2oc(Cc3cccc(F)c3)nc2C1
InChIInChI=1S/C15H17FN2O/c16-12-3-1-2-10(6-12)8-15-18-13-7-11(9-17)4-5-14(13)19-15/h1-3,6,11H,4-5,7-9,17H2
InChIKeyKNPQOANLRPJRIT-UHFFFAOYSA-N
XLogP2.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine
CID 82391208
2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-amine
CID 115066256
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066575
2-[(3-fluorophenyl)methyl]-1,3-benzoxazol-4-amine
CID 79022264
[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424855
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
[2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066565
5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58077087
[2-[(3,5-difluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424927
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61324398
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-ol
CID 115066177

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine?
The IUPAC name of [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine (CID 115066139) is [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine is NCC1CCc2oc(Cc3cccc(F)c3)nc2C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine?
The InChIKey is KNPQOANLRPJRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-12-3-1-2-10(6-12)8-15-18-13-7-11(9-17)4-5-14(13)19-15/h1-3,6,11H,4-5,7-9,17H2.
What are the key properties of [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine?
[2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine has a molecular weight of 260.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine is sourced from PubChem (CID 115066139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).