1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine

C16H15NO — CID 10037165

IUPAC1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine
SMILESCNCC1=Cc2ccccc2Oc2ccccc21
InChIInChI=1S/C16H15NO/c1-17-11-13-10-12-6-2-4-8-15(12)18-16-9-5-3-7-14(13)16/h2-10,17H,11H2,1H3
InChIKeyKZMVRAKTLOYDLQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.55
Rot. Bonds2

About 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine

1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine (PubChem CID 10037165) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine
PubChem CID10037165
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine
SMILESCNCC1=Cc2ccccc2Oc2ccccc21
InChIInChI=1S/C16H15NO/c1-17-11-13-10-12-6-2-4-8-15(12)18-16-9-5-3-7-14(13)16/h2-10,17H,11H2,1H3
InChIKeyKZMVRAKTLOYDLQ-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxybenzo[b][1]benzoxepin-5-yl)-N-methylmethanamine
CID 10107028
N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methylprop-2-yn-1-amine
CID 6419718
1-(benzo[b][1]benzoxepin-5-ylmethyl)pyrrole
CID 140972808
N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-ethylprop-2-yn-1-amine
CID 158352147
1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-N,N-dimethylmethanamine
CID 10016815
benzo[b][1]benzoxepine-5-carboxylic acid
CID 101334283
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
N,N-dimethyl-3-[3-(trifluoromethyl)benzo[b][1]benzoxepin-6-yl]propan-1-amine
CID 154349379
2-(3-chlorobenzo[b][1]benzoxepin-5-yl)acetic acid
CID 67980037
4-benzo[b][1]benzoxepin-5-yl-1-methylpiperidine
CID 10356955
bis(1-(benzo[b][1]benzoxepin-5-ylmethyl)-3,6-dihydro-2H-pyridine);but-2-enedioic acid
CID 173328589
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343

Frequently Asked Questions

What is the IUPAC name of 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine?
The IUPAC name of 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine (CID 10037165) is 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine.
What is the SMILES notation for 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine?
The canonical SMILES for 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine is CNCC1=Cc2ccccc2Oc2ccccc21.
What is the InChIKey of 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine?
The InChIKey is KZMVRAKTLOYDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-11-13-10-12-6-2-4-8-15(12)18-16-9-5-3-7-14(13)16/h2-10,17H,11H2,1H3.
What are the key properties of 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine?
1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine has a molecular weight of 237.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[b][1]benzoxepin-5-yl-N-methylmethanamine is sourced from PubChem (CID 10037165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).