3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C15H23NO — CID 55155020

IUPAC3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCOc1ccc2c(c1)C(NC)CC(C)CC2
InChIInChI=1S/C15H23NO/c1-4-17-13-8-7-12-6-5-11(2)9-15(16-3)14(12)10-13/h7-8,10-11,15-16H,4-6,9H2,1-3H3
InChIKeyOWZPCTXBPGVDDZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds3

About 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 55155020) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID55155020
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCOc1ccc2c(c1)C(NC)CC(C)CC2
InChIInChI=1S/C15H23NO/c1-4-17-13-8-7-12-6-5-11(2)9-15(16-3)14(12)10-13/h7-8,10-11,15-16H,4-6,9H2,1-3H3
InChIKeyOWZPCTXBPGVDDZ-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine 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

N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115483167
3-(difluoromethoxy)-7-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63822639
7-ethoxy-N,4-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889404
3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273
(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014278
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
7-ethoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885777
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109039
1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 79370226

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 55155020) is 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCOc1ccc2c(c1)C(NC)CC(C)CC2.
What is the InChIKey of 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is OWZPCTXBPGVDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-17-13-8-7-12-6-5-11(2)9-15(16-3)14(12)10-13/h7-8,10-11,15-16H,4-6,9H2,1-3H3.
What are the key properties of 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 233.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 55155020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).