[(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine

C14H13FN2O — CID 171472476

IUPAC[(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
SMILESNC[C@@H]1Cc2ncc(F)cc2Oc2ccccc21
InChIInChI=1S/C14H13FN2O/c15-10-6-14-12(17-8-10)5-9(7-16)11-3-1-2-4-13(11)18-14/h1-4,6,8-9H,5,7,16H2/t9-/m0/s1
InChIKeyAZRCZHMMKAADNK-VIFPVBQESA-N
MW244.27 g/mol
LogP2.61
Rot. Bonds1

About [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine

[(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine (PubChem CID 171472476) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
PubChem CID171472476
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name[(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
SMILESNC[C@@H]1Cc2ncc(F)cc2Oc2ccccc21
InChIInChI=1S/C14H13FN2O/c15-10-6-14-12(17-8-10)5-9(7-16)11-3-1-2-4-13(11)18-14/h1-4,6,8-9H,5,7,16H2/t9-/m0/s1
InChIKeyAZRCZHMMKAADNK-VIFPVBQESA-N
XLogP2.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(6S)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
CID 165410012
(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
CID 165410508
[(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine
CID 167169238
[(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
CID 167169210
5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine
CID 165410236
[(5S)-5,6-dihydro-[1]benzoxepino[2,3-b]pyridin-5-yl]methanamine
CID 167169305
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
6-(aminomethyl)-8-chloro-N-[(8-chloro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl)methyl]-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-1-amine
CID 165410500
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 22895103

Frequently Asked Questions

What is the IUPAC name of [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine?
The IUPAC name of [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine (CID 171472476) is [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine.
What is the SMILES notation for [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine?
The canonical SMILES for [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine is NC[C@@H]1Cc2ncc(F)cc2Oc2ccccc21.
What is the InChIKey of [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine?
The InChIKey is AZRCZHMMKAADNK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13FN2O/c15-10-6-14-12(17-8-10)5-9(7-16)11-3-1-2-4-13(11)18-14/h1-4,6,8-9H,5,7,16H2/t9-/m0/s1.
What are the key properties of [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine?
[(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine has a molecular weight of 244.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine is sourced from PubChem (CID 171472476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).