N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine

C17H21NO2 — CID 62735435

IUPACN-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine
SMILESCCNC1COCCc2c1cc(OC)c1ccccc21
InChIInChI=1S/C17H21NO2/c1-3-18-16-11-20-9-8-13-12-6-4-5-7-14(12)17(19-2)10-15(13)16/h4-7,10,16,18H,3,8-9,11H2,1-2H3
InChIKeyJRBITEAWAJANGX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.07
Rot. Bonds3

About N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine

N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine (PubChem CID 62735435) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine
PubChem CID62735435
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine
SMILESCCNC1COCCc2c1cc(OC)c1ccccc21
InChIInChI=1S/C17H21NO2/c1-3-18-16-11-20-9-8-13-12-6-4-5-7-14(12)17(19-2)10-15(13)16/h4-7,10,16,18H,3,8-9,11H2,1-2H3
InChIKeyJRBITEAWAJANGX-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine with MolForge

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Related Compounds

N-ethyl-6,7-dimethoxy-9-methyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62735437
9-bromo-N-ethyl-6,7-dimethoxy-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62736905
5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
CID 63513706
N-ethyl-7,9-dimethyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62732239
N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109328
N-ethyl-7,9-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62729891
N-ethyl-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62738031
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
N-ethyl-7-phenyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62738218
N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine
CID 64628532
N-ethyl-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63822452
(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
CID 15568466

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine?
The IUPAC name of N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine (CID 62735435) is N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine.
What is the SMILES notation for N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine?
The canonical SMILES for N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine is CCNC1COCCc2c1cc(OC)c1ccccc21.
What is the InChIKey of N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine?
The InChIKey is JRBITEAWAJANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-18-16-11-20-9-8-13-12-6-4-5-7-14(12)17(19-2)10-15(13)16/h4-7,10,16,18H,3,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine?
N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine has a molecular weight of 271.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-1,2,4,5-tetrahydrobenzo[g][3]benzoxepin-5-amine is sourced from PubChem (CID 62735435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).