(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine

C15H23NO — CID 125494595

IUPAC(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESCCCN[C@@H]1CCCc2c(cccc2OC)C1
InChIInChI=1S/C15H23NO/c1-3-10-16-13-7-5-8-14-12(11-13)6-4-9-15(14)17-2/h4,6,9,13,16H,3,5,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPNDKJYFQSWTEIP-CYBMUJFWSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds4

About (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine

(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (PubChem CID 125494595) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.

Molecular Properties

Compound Name(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
PubChem CID125494595
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESCCCN[C@@H]1CCCc2c(cccc2OC)C1
InChIInChI=1S/C15H23NO/c1-3-10-16-13-7-5-8-14-12(11-13)6-4-9-15(14)17-2/h4,6,9,13,16H,3,5,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPNDKJYFQSWTEIP-CYBMUJFWSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-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

(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
N'-(3,5-dimethoxyphenyl)-N-(1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethane-1,2-diamine
CID 166382734
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium
CID 162016290
3-[(1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]cyclobutane-1-carboxylic acid
CID 166267662
5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 14969231
(2R)-5-fluoro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10679847
4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 12773157

Frequently Asked Questions

What is the IUPAC name of (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The IUPAC name of (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (CID 125494595) is (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.
What is the SMILES notation for (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The canonical SMILES for (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is CCCN[C@@H]1CCCc2c(cccc2OC)C1.
What is the InChIKey of (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The InChIKey is PNDKJYFQSWTEIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-10-16-13-7-5-8-14-12(11-13)6-4-9-15(14)17-2/h4,6,9,13,16H,3,5,7-8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine has a molecular weight of 233.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is sourced from PubChem (CID 125494595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).