2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine

C21H26FNO — CID 67868038

IUPAC2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
SMILESCNCC(COc1ccc2c(c1)CCCC2)Cc1cccc(F)c1
InChIInChI=1S/C21H26FNO/c1-23-14-17(11-16-5-4-8-20(22)12-16)15-24-21-10-9-18-6-2-3-7-19(18)13-21/h4-5,8-10,12-13,17,23H,2-3,6-7,11,14-15H2,1H3
InChIKeyGQAMMIPYRKCGQW-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.16
Rot. Bonds7

About 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine

2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine (PubChem CID 67868038) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
PubChem CID67868038
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
SMILESCNCC(COc1ccc2c(c1)CCCC2)Cc1cccc(F)c1
InChIInChI=1S/C21H26FNO/c1-23-14-17(11-16-5-4-8-20(22)12-16)15-24-21-10-9-18-6-2-3-7-19(18)13-21/h4-5,8-10,12-13,17,23H,2-3,6-7,11,14-15H2,1H3
InChIKeyGQAMMIPYRKCGQW-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine (CID 67868038) is 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine is CNCC(COc1ccc2c(c1)CCCC2)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
The InChIKey is GQAMMIPYRKCGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-23-14-17(11-16-5-4-8-20(22)12-16)15-24-21-10-9-18-6-2-3-7-19(18)13-21/h4-5,8-10,12-13,17,23H,2-3,6-7,11,14-15H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine has a molecular weight of 327.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine is sourced from PubChem (CID 67868038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).