(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine

C13H17NO — CID 115057448

IUPAC(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine
SMILESCOc1cccc2c1C(C)=C(CN)CC2
InChIInChI=1S/C13H17NO/c1-9-11(8-14)7-6-10-4-3-5-12(15-2)13(9)10/h3-5H,6-8,14H2,1-2H3
InChIKeyKBCKZIFNCWAHMQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.37
Rot. Bonds2

About (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine

(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine (PubChem CID 115057448) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine
PubChem CID115057448
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine
SMILESCOc1cccc2c1C(C)=C(CN)CC2
InChIInChI=1S/C13H17NO/c1-9-11(8-14)7-6-10-4-3-5-12(15-2)13(9)10/h3-5H,6-8,14H2,1-2H3
InChIKeyKBCKZIFNCWAHMQ-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
The IUPAC name of (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine (CID 115057448) is (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
The canonical SMILES for (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine is COc1cccc2c1C(C)=C(CN)CC2.
What is the InChIKey of (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
The InChIKey is KBCKZIFNCWAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-11(8-14)7-6-10-4-3-5-12(15-2)13(9)10/h3-5H,6-8,14H2,1-2H3.
What are the key properties of (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine has a molecular weight of 203.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 115057448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).