2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine

C13H19NO — CID 123461500

IUPAC2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine
SMILESCOC1=CC=C2CCC=C(CCN)C2C1
InChIInChI=1S/C13H19NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h4-6,13H,2-3,7-9,14H2,1H3
InChIKeyTWRGUNQDLOSWTP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds3

About 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine

2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 123461500) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID123461500
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine
SMILESCOC1=CC=C2CCC=C(CCN)C2C1
InChIInChI=1S/C13H19NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h4-6,13H,2-3,7-9,14H2,1H3
InChIKeyTWRGUNQDLOSWTP-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexa-1,3-dien-1-yl-3-(1,4-dioxin-2-yl)propan-1-amine
CID 69136576
2-(7-Methoxy-8,8a-dihydronaphthalen-1-yl)ethanamine
CID 89509531
4-Cyclohexa-1,3-dien-1-yl-3-(1,4-dioxin-2-yl)butan-1-amine
CID 91534886
3-[(1S)-5-(2-propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373101
3-[5-(Cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]butan-1-amine
CID 130373131
3-[5-(2-Ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373189
3-[5-(2-Propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373211
(2R)-3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine
CID 130373329
2-(7-methoxy-2,8a-dimethyl-2,8-dihydro-1H-naphthalen-1-yl)ethanamine
CID 130460996
8-Methoxy-1,2,3,8a-tetrahydronaphthalen-1-amine
CID 141613276
(3S)-3-(4-methoxycyclohexa-1,3-dien-1-yl)butan-2-amine
CID 142052797
4-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142229938

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine (CID 123461500) is 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine is COC1=CC=C2CCC=C(CCN)C2C1.
What is the InChIKey of 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is TWRGUNQDLOSWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h4-6,13H,2-3,7-9,14H2,1H3.
What are the key properties of 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine?
2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 123461500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).