8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C14H21NO — CID 12741417

IUPAC8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCNC1CCc2cccc(OC)c2C1
InChIInChI=1S/C14H21NO/c1-3-9-15-12-8-7-11-5-4-6-14(16-2)13(11)10-12/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyMLSPZCYBIFMZQH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds4

About 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12741417) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12741417
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCNC1CCc2cccc(OC)c2C1
InChIInChI=1S/C14H21NO/c1-3-9-15-12-8-7-11-5-4-6-14(16-2)13(11)10-12/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyMLSPZCYBIFMZQH-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12741417) is 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCNC1CCc2cccc(OC)c2C1.
What is the InChIKey of 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MLSPZCYBIFMZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-9-15-12-8-7-11-5-4-6-14(16-2)13(11)10-12/h4-6,12,15H,3,7-10H2,1-2H3.
What are the key properties of 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12741417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).