8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine

C19H21NO — CID 145489426

IUPAC8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine
SMILES[H]/N=C1\Cc2ccc(OC)cc2CC(Cc2ccccc2)C1
InChIInChI=1S/C19H21NO/c1-21-19-8-7-16-12-18(20)11-15(10-17(16)13-19)9-14-5-3-2-4-6-14/h2-8,13,15,20H,9-12H2,1H3/b20-18-
InChIKeyWWVRCLHZHLFMOY-ZZEZOPTASA-N
MW279.38 g/mol
LogP4.06
Rot. Bonds3

About 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine

8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine (PubChem CID 145489426) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine.

Molecular Properties

Compound Name8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine
PubChem CID145489426
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine
SMILES[H]/N=C1\Cc2ccc(OC)cc2CC(Cc2ccccc2)C1
InChIInChI=1S/C19H21NO/c1-21-19-8-7-16-12-18(20)11-15(10-17(16)13-19)9-14-5-3-2-4-6-14/h2-8,13,15,20H,9-12H2,1H3/b20-18-
InChIKeyWWVRCLHZHLFMOY-ZZEZOPTASA-N
XLogP4.06
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride
CID 11451970
2-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indene
CID 134338473
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
2-[[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]phenol
CID 124560099
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
(2E)-2-(2-benzyl-6-methoxy-2,3-dihydroinden-1-ylidene)ethanamine
CID 10923928
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine?
The IUPAC name of 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine (CID 145489426) is 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine.
What is the SMILES notation for 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine?
The canonical SMILES for 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine is [H]/N=C1\Cc2ccc(OC)cc2CC(Cc2ccccc2)C1.
What is the InChIKey of 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine?
The InChIKey is WWVRCLHZHLFMOY-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H21NO/c1-21-19-8-7-16-12-18(20)11-15(10-17(16)13-19)9-14-5-3-2-4-6-14/h2-8,13,15,20H,9-12H2,1H3/b20-18-.
What are the key properties of 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine?
8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine has a molecular weight of 279.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-imine is sourced from PubChem (CID 145489426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).