9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C14H20FNO — CID 64855372

IUPAC9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCCCNC1CCCOc2c(F)ccc(C)c21
InChIInChI=1S/C14H20FNO/c1-3-8-16-12-5-4-9-17-14-11(15)7-6-10(2)13(12)14/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyDCRIERORYKUDLZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.35
Rot. Bonds3

About 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 64855372) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound Name9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID64855372
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCCCNC1CCCOc2c(F)ccc(C)c21
InChIInChI=1S/C14H20FNO/c1-3-8-16-12-5-4-9-17-14-11(15)7-6-10(2)13(12)14/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyDCRIERORYKUDLZ-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-9-propan-2-yl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512627
N-ethyl-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990299
8,9-dimethyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512197
(5S)-9-fluoro-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014270
8-fluoro-7-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107170018
8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107659828
N-cyclopropyl-6,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512134
N-butyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43759380
9-chloro-N,6-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512693
1,3-difluoro-4-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79732480
6,9-dimethyl-1-oxo-N-propyl-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61289099
(5R)-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990333

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 64855372) is 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is CCCNC1CCCOc2c(F)ccc(C)c21.
What is the InChIKey of 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is DCRIERORYKUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-8-16-12-5-4-9-17-14-11(15)7-6-10(2)13(12)14/h6-7,12,16H,3-5,8-9H2,1-2H3.
What are the key properties of 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 237.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 64855372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).