N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C15H23NO2 — CID 43512312

IUPACN-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCCCOc1ccc2c(c1)C(NCC)CCCO2
InChIInChI=1S/C15H23NO2/c1-3-9-17-12-7-8-15-13(11-12)14(16-4-2)6-5-10-18-15/h7-8,11,14,16H,3-6,9-10H2,1-2H3
InChIKeyDOCVDTXUCPRVET-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.30
Rot. Bonds5

About N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 43512312) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound NameN-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID43512312
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCCCOc1ccc2c(c1)C(NCC)CCCO2
InChIInChI=1S/C15H23NO2/c1-3-9-17-12-7-8-15-13(11-12)14(16-4-2)6-5-10-18-15/h7-8,11,14,16H,3-6,9-10H2,1-2H3
InChIKeyDOCVDTXUCPRVET-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481795
7-butyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 113322711
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
7-benzyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62273514
7-methoxy-N-[[4-(2-methoxyethoxy)-2-pyridinyl]methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 166275484
N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62549764
7-methoxy-N-prop-2-enyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 119034586
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
7-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 84588988

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 43512312) is N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is CCCOc1ccc2c(c1)C(NCC)CCCO2.
What is the InChIKey of N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is DOCVDTXUCPRVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-9-17-12-7-8-15-13(11-12)14(16-4-2)6-5-10-18-15/h7-8,11,14,16H,3-6,9-10H2,1-2H3.
What are the key properties of N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 249.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 43512312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).