2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine

C13H19FN2O2 — CID 154682437

IUPAC2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine
SMILESFCCOCCNCCc1nc2c(o1)CCC=C2
InChIInChI=1S/C13H19FN2O2/c14-6-9-17-10-8-15-7-5-13-16-11-3-1-2-4-12(11)18-13/h1,3,15H,2,4-10H2
InChIKeyNJQSWRXLPALIRV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.75
Rot. Bonds8

About 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine

2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine (PubChem CID 154682437) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine
PubChem CID154682437
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine
SMILESFCCOCCNCCc1nc2c(o1)CCC=C2
InChIInChI=1S/C13H19FN2O2/c14-6-9-17-10-8-15-7-5-13-16-11-3-1-2-4-12(11)18-13/h1,3,15H,2,4-10H2
InChIKeyNJQSWRXLPALIRV-UHFFFAOYSA-N
XLogP1.75
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-2-piperidin-4-yl-6,7-dihydro-1,3-benzoxazole
CID 89672712
2-[(6,7-difluoro-6,7-dihydro-1,3-benzoxazol-2-yl)methyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137158280
5-Fluoro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 142292439
2-Ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
CID 142292476
2-methyl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]propanamide
CID 67785722
N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide
CID 67785845
N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 67785873
2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 67786113
N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide
CID 67786397
2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 67786429
N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 67786561
2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 67786799

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine (CID 154682437) is 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine is FCCOCCNCCc1nc2c(o1)CCC=C2.
What is the InChIKey of 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine?
The InChIKey is NJQSWRXLPALIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c14-6-9-17-10-8-15-7-5-13-16-11-3-1-2-4-12(11)18-13/h1,3,15H,2,4-10H2.
What are the key properties of 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine?
2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 154682437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).