[(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine

C14H13FN2O — CID 167169238

IUPAC[(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine
SMILESNC[C@H]1Cc2c(F)cncc2Oc2ccccc21
InChIInChI=1S/C14H13FN2O/c15-12-7-17-8-14-11(12)5-9(6-16)10-3-1-2-4-13(10)18-14/h1-4,7-9H,5-6,16H2/t9-/m1/s1
InChIKeyBUOJAXFJCNHUJH-SECBINFHSA-N
MW244.27 g/mol
LogP2.61
Rot. Bonds1

About [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine

[(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine (PubChem CID 167169238) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine
PubChem CID167169238
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name[(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine
SMILESNC[C@H]1Cc2c(F)cncc2Oc2ccccc21
InChIInChI=1S/C14H13FN2O/c15-12-7-17-8-14-11(12)5-9(6-16)10-3-1-2-4-13(10)18-14/h1-4,7-9H,5-6,16H2/t9-/m1/s1
InChIKeyBUOJAXFJCNHUJH-SECBINFHSA-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

Analyze [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6S)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
CID 165410012
[(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
CID 171472476
(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
CID 165410508
5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine
CID 165410236
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(5S)-5,6-dihydro-[1]benzoxepino[2,3-b]pyridin-5-yl]methanamine
CID 167169305
[(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
CID 167169210
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
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-fluoro-4-pyridinyl)-N-methylethanamine
CID 104770561
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
3-(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-2-methoxypropan-1-ol
CID 143335828

Frequently Asked Questions

What is the IUPAC name of [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine?
The IUPAC name of [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine (CID 167169238) is [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine.
What is the SMILES notation for [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine?
The canonical SMILES for [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine is NC[C@H]1Cc2c(F)cncc2Oc2ccccc21.
What is the InChIKey of [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine?
The InChIKey is BUOJAXFJCNHUJH-SECBINFHSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-12-7-17-8-14-11(12)5-9(6-16)10-3-1-2-4-13(10)18-14/h1-4,7-9H,5-6,16H2/t9-/m1/s1.
What are the key properties of [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine?
[(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]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 [(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine is sourced from PubChem (CID 167169238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).