(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine

C15H14FNO — CID 165410508

IUPAC(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
SMILESNCC1Cc2ccc(F)cc2Oc2ccccc21
InChIInChI=1S/C15H14FNO/c16-12-6-5-10-7-11(9-17)13-3-1-2-4-14(13)18-15(10)8-12/h1-6,8,11H,7,9,17H2
InChIKeyUBKGIEKGKKYEJN-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.22
Rot. Bonds1

About (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine

(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine (PubChem CID 165410508) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
PubChem CID165410508
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
SMILESNCC1Cc2ccc(F)cc2Oc2ccccc21
InChIInChI=1S/C15H14FNO/c16-12-6-5-10-7-11(9-17)13-3-1-2-4-14(13)18-15(10)8-12/h1-6,8,11H,7,9,17H2
InChIKeyUBKGIEKGKKYEJN-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine?
The IUPAC name of (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine (CID 165410508) is (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine.
What is the SMILES notation for (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine?
The canonical SMILES for (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine is NCC1Cc2ccc(F)cc2Oc2ccccc21.
What is the InChIKey of (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine?
The InChIKey is UBKGIEKGKKYEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-12-6-5-10-7-11(9-17)13-3-1-2-4-14(13)18-15(10)8-12/h1-6,8,11H,7,9,17H2.
What are the key properties of (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine?
(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine has a molecular weight of 243.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine is sourced from PubChem (CID 165410508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).