1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine

C20H23NO — CID 19360471

IUPAC1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine
SMILESCOc1cccc2c1CCC(C(c1ccccc1)N(C)C)=C2
InChIInChI=1S/C20H23NO/c1-21(2)20(15-8-5-4-6-9-15)17-12-13-18-16(14-17)10-7-11-19(18)22-3/h4-11,14,20H,12-13H2,1-3H3
InChIKeyAULSOPFLAQWZFU-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.33
Rot. Bonds4

About 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine

1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine (PubChem CID 19360471) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine
PubChem CID19360471
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine
SMILESCOc1cccc2c1CCC(C(c1ccccc1)N(C)C)=C2
InChIInChI=1S/C20H23NO/c1-21(2)20(15-8-5-4-6-9-15)17-12-13-18-16(14-17)10-7-11-19(18)22-3/h4-11,14,20H,12-13H2,1-3H3
InChIKeyAULSOPFLAQWZFU-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine (CID 19360471) is 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine is COc1cccc2c1CCC(C(c1ccccc1)N(C)C)=C2.
What is the InChIKey of 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is AULSOPFLAQWZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-21(2)20(15-8-5-4-6-9-15)17-12-13-18-16(14-17)10-7-11-19(18)22-3/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine?
1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 293.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3,4-dihydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 19360471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).