2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine

C18H21NO — CID 163547176

IUPAC2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1c2ccccc2COc2ccccc21
InChIInChI=1S/C18H21NO/c1-19(2)12-11-16-15-8-4-3-7-14(15)13-20-18-10-6-5-9-17(16)18/h3-10,16H,11-13H2,1-2H3
InChIKeyFGAHYFZQPGXCJI-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.66
Rot. Bonds3

About 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine

2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine (PubChem CID 163547176) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine
PubChem CID163547176
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1c2ccccc2COc2ccccc21
InChIInChI=1S/C18H21NO/c1-19(2)12-11-16-15-8-4-3-7-14(15)13-20-18-10-6-5-9-17(16)18/h3-10,16H,11-13H2,1-2H3
InChIKeyFGAHYFZQPGXCJI-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 784635
11-methylsulfonyl-6,11-dihydrobenzo[c][1]benzoxepine
CID 57006154
N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine
CID 22463213
N,N-dimethyl-2-[(2R,9S)-2-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]ethanamine
CID 6992647
4-(2,2-dimethylpropyl)-1,4-dihydroisochromen-3-one
CID 11138592
2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol;hydrobromide
CID 22619637
ethyl 4-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperidine-1-carboxylate
CID 143065861
N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide
CID 125463978
1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone
CID 3052831
N-benzyl-1-(6,11-dihydrobenzo[c][1]benzoxepin-11-ylmethyl)-3-hydroxy-N-methyl-4-oxopyridine-2-carboxamide
CID 146641365
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
CID 10641
(E)-but-2-enedioic acid;2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)-N,N-dimethylethanamine
CID 6448356

Frequently Asked Questions

What is the IUPAC name of 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine (CID 163547176) is 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine is CN(C)CCC1c2ccccc2COc2ccccc21.
What is the InChIKey of 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine?
The InChIKey is FGAHYFZQPGXCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19(2)12-11-16-15-8-4-3-7-14(15)13-20-18-10-6-5-9-17(16)18/h3-10,16H,11-13H2,1-2H3.
What are the key properties of 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine?
2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 163547176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).