(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine

C11H14FNO — CID 82241121

IUPAC(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
SMILESNCC1CCCOc2ccc(F)cc21
InChIInChI=1S/C11H14FNO/c12-9-3-4-11-10(6-9)8(7-13)2-1-5-14-11/h3-4,6,8H,1-2,5,7,13H2
InChIKeyKVIKAMPKUSTTLN-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.04
Rot. Bonds1

About (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine

(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine (PubChem CID 82241121) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
PubChem CID82241121
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
SMILESNCC1CCCOc2ccc(F)cc21
InChIInChI=1S/C11H14FNO/c12-9-3-4-11-10(6-9)8(7-13)2-1-5-14-11/h3-4,6,8H,1-2,5,7,13H2
InChIKeyKVIKAMPKUSTTLN-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
(7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82245192
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82245482
2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine
CID 105496479
(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82075648
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(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)methanol
CID 22012245
2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82078156

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine?
The IUPAC name of (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine (CID 82241121) is (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine.
What is the SMILES notation for (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine?
The canonical SMILES for (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine is NCC1CCCOc2ccc(F)cc21.
What is the InChIKey of (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine?
The InChIKey is KVIKAMPKUSTTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-3-4-11-10(6-9)8(7-13)2-1-5-14-11/h3-4,6,8H,1-2,5,7,13H2.
What are the key properties of (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine?
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine has a molecular weight of 195.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine is sourced from PubChem (CID 82241121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).