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

C11H17NO — CID 155703718

IUPAC6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
SMILESCOC1=CC2=C(CC1)C(N)CCC2
InChIInChI=1S/C11H17NO/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h7,11H,2-6,12H2,1H3
InChIKeyDFMRZLGHCKMISN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.12
Rot. Bonds1

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

6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine (PubChem CID 155703718) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
PubChem CID155703718
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
SMILESCOC1=CC2=C(CC1)C(N)CCC2
InChIInChI=1S/C11H17NO/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h7,11H,2-6,12H2,1H3
InChIKeyDFMRZLGHCKMISN-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
Ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155703717
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine (CID 155703718) is 6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine is COC1=CC2=C(CC1)C(N)CCC2.
What is the InChIKey of 6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The InChIKey is DFMRZLGHCKMISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h7,11H,2-6,12H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine is sourced from PubChem (CID 155703718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).