7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C11H14FNO — CID 43511971

IUPAC7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCNC1CCCOc2ccc(F)cc21
InChIInChI=1S/C11H14FNO/c1-13-10-3-2-6-14-11-5-4-8(12)7-9(10)11/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeyKEQISSKLWHUUMU-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.26
Rot. Bonds1

About 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 43511971) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID43511971
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCNC1CCCOc2ccc(F)cc21
InChIInChI=1S/C11H14FNO/c1-13-10-3-2-6-14-11-5-4-8(12)7-9(10)11/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeyKEQISSKLWHUUMU-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(E)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)but-2-enamide
CID 110477991
7-benzyl-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62273339
1-cyclohexyl-3-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)thiourea
CID 71887422
7-fluoro-N-(7-oxaspiro[3.5]nonan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 136551922
1-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-(1-phenylethyl)thiourea
CID 71937887
9-bromo-7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512582
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241121
4-[[[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]methyl]benzonitrile
CID 95582598
2-amino-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-hydroxypropanamide
CID 110480639
8-fluoro-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 81482118
N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3-benzoxazol-2-amine
CID 94497182
N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976843

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 43511971) is 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is CNC1CCCOc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is KEQISSKLWHUUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-13-10-3-2-6-14-11-5-4-8(12)7-9(10)11/h4-5,7,10,13H,2-3,6H2,1H3.
What are the key properties of 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 195.24 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 43511971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).