1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine

C15H21NO3 — CID 117412878

IUPAC1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
SMILESCOc1c(C2(N)CCCC2)ccc2c1OCCCO2
InChIInChI=1S/C15H21NO3/c1-17-13-11(15(16)7-2-3-8-15)5-6-12-14(13)19-10-4-9-18-12/h5-6H,2-4,7-10,16H2,1H3
InChIKeyBZFXRHZTQABTPF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.58
Rot. Bonds2

About 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine

1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine (PubChem CID 117412878) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
PubChem CID117412878
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
SMILESCOc1c(C2(N)CCCC2)ccc2c1OCCCO2
InChIInChI=1S/C15H21NO3/c1-17-13-11(15(16)7-2-3-8-15)5-6-12-14(13)19-10-4-9-18-12/h5-6H,2-4,7-10,16H2,1H3
InChIKeyBZFXRHZTQABTPF-UHFFFAOYSA-N
XLogP2.58
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1,3-benzodioxol-5-yl)cyclobutan-1-amine
CID 117315660
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
CID 117422887
1-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
CID 117440825
1-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclohexan-1-amine
CID 117467764
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropan-1-amine
CID 117351921
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117342410
6-(1-aminocyclopentyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117376057
1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine
CID 117381226
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
2-amino-2-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid
CID 117385401
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine?
The IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine (CID 117412878) is 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine is COc1c(C2(N)CCCC2)ccc2c1OCCCO2.
What is the InChIKey of 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine?
The InChIKey is BZFXRHZTQABTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-13-11(15(16)7-2-3-8-15)5-6-12-14(13)19-10-4-9-18-12/h5-6H,2-4,7-10,16H2,1H3.
What are the key properties of 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine?
1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentan-1-amine is sourced from PubChem (CID 117412878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).