1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine

C14H18FNO2 — CID 117381226

IUPAC1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine
SMILESNC1(c2ccc(F)c3c2OCCCO3)CCCC1
InChIInChI=1S/C14H18FNO2/c15-11-5-4-10(14(16)6-1-2-7-14)12-13(11)18-9-3-8-17-12/h4-5H,1-3,6-9,16H2
InChIKeyQGAHYSBLMHGENR-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.71
Rot. Bonds1

About 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine

1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine (PubChem CID 117381226) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine
PubChem CID117381226
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine
SMILESNC1(c2ccc(F)c3c2OCCCO3)CCCC1
InChIInChI=1S/C14H18FNO2/c15-11-5-4-10(14(16)6-1-2-7-14)12-13(11)18-9-3-8-17-12/h4-5H,1-3,6-9,16H2
InChIKeyQGAHYSBLMHGENR-UHFFFAOYSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117319463
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
CID 117422887
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634
3-(1-aminocyclopentyl)-6-fluorobenzene-1,2-diol
CID 117301232
1-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
CID 117440825
1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
CID 117412878
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
1-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine
CID 117482710
1-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclohexan-1-amine
CID 117467764
3-(1-aminocyclohexyl)-6-fluorobenzene-1,2-diol
CID 117323320
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropan-1-amine
CID 117351921

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine (CID 117381226) is 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine is NC1(c2ccc(F)c3c2OCCCO3)CCCC1.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine?
The InChIKey is QGAHYSBLMHGENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-11-5-4-10(14(16)6-1-2-7-14)12-13(11)18-9-3-8-17-12/h4-5H,1-3,6-9,16H2.
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine?
1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine has a molecular weight of 251.30 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine is sourced from PubChem (CID 117381226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).