2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine

C14H21NO — CID 134579876

IUPAC2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine
SMILESCOc1cc2c(cc1N)CCC(C)CCC2
InChIInChI=1S/C14H21NO/c1-10-4-3-5-11-9-14(16-2)13(15)8-12(11)7-6-10/h8-10H,3-7,15H2,1-2H3
InChIKeyRDIUHJAADNJTLX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.18
Rot. Bonds1

About 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine

2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine (PubChem CID 134579876) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine.

Molecular Properties

Compound Name2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine
PubChem CID134579876
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine
SMILESCOc1cc2c(cc1N)CCC(C)CCC2
InChIInChI=1S/C14H21NO/c1-10-4-3-5-11-9-14(16-2)13(15)8-12(11)7-6-10/h8-10H,3-7,15H2,1-2H3
InChIKeyRDIUHJAADNJTLX-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
CID 170999674
1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinolin-7-amine
CID 163217090
7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 71755958
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
5-methoxy-2,3-dihydro-1H-indol-6-amine
CID 72710379
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
8-amino-7-methoxy-3-sulfanyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 143662042
4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
CID 117402861
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101368184
6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline
CID 7445947

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine?
The IUPAC name of 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine (CID 134579876) is 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine.
What is the SMILES notation for 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine?
The canonical SMILES for 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine is COc1cc2c(cc1N)CCC(C)CCC2.
What is the InChIKey of 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine?
The InChIKey is RDIUHJAADNJTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-4-3-5-11-9-14(16-2)13(15)8-12(11)7-6-10/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine?
2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine has a molecular weight of 219.33 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-amine is sourced from PubChem (CID 134579876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).