ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine

C13H23NO — CID 155703717

IUPACethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
SMILESCC.COC1=CC2=C(CC1)C(N)CCC2
InChIInChI=1S/C11H17NO.C2H6/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;1-2/h7,11H,2-6,12H2,1H3;1-2H3
InChIKeyMDFIGCGTLXNGBU-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.14
Rot. Bonds1

About ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine

ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine (PubChem CID 155703717) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine.

Molecular Properties

Compound Nameethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
PubChem CID155703717
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
SMILESCC.COC1=CC2=C(CC1)C(N)CCC2
InChIInChI=1S/C11H17NO.C2H6/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;1-2/h7,11H,2-6,12H2,1H3;1-2H3
InChIKeyMDFIGCGTLXNGBU-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-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-propyl-6-methoxy-1,2,3,5-tetrahydro-2-naphthylamine
CID 20456202
6-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
2-(7-Methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine
CID 123461500
5-Cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
CID 123779423
4-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142229938
4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine
CID 168970731
3,4-bis[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine
CID 169965557
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine
CID 116661160
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 116661450
4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine
CID 130741190
6-Methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155703718

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The IUPAC name of ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine (CID 155703717) is ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine.
What is the SMILES notation for ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The canonical SMILES for ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine is CC.COC1=CC2=C(CC1)C(N)CCC2.
What is the InChIKey of ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The InChIKey is MDFIGCGTLXNGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;1-2/h7,11H,2-6,12H2,1H3;1-2H3.
What are the key properties of ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine is sourced from PubChem (CID 155703717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).