3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine

C18H25NO — CID 143811751

IUPAC3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine
SMILESC=C(C(C)Oc1ccc2c(c1)=CCCC=2)N(C)CCC
InChIInChI=1S/C18H25NO/c1-5-12-19(4)14(2)15(3)20-18-11-10-16-8-6-7-9-17(16)13-18/h8-11,13,15H,2,5-7,12H2,1,3-4H3
InChIKeyLCRCFQCKDLPZCM-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.66
Rot. Bonds6

About 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine

3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine (PubChem CID 143811751) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine.

Molecular Properties

Compound Name3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine
PubChem CID143811751
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine
SMILESC=C(C(C)Oc1ccc2c(c1)=CCCC=2)N(C)CCC
InChIInChI=1S/C18H25NO/c1-5-12-19(4)14(2)15(3)20-18-11-10-16-8-6-7-9-17(16)13-18/h8-11,13,15H,2,5-7,12H2,1,3-4H3
InChIKeyLCRCFQCKDLPZCM-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine?
The IUPAC name of 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine (CID 143811751) is 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine.
What is the SMILES notation for 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine?
The canonical SMILES for 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine is C=C(C(C)Oc1ccc2c(c1)=CCCC=2)N(C)CCC.
What is the InChIKey of 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine?
The InChIKey is LCRCFQCKDLPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-12-19(4)14(2)15(3)20-18-11-10-16-8-6-7-9-17(16)13-18/h8-11,13,15H,2,5-7,12H2,1,3-4H3.
What are the key properties of 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine?
3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine has a molecular weight of 271.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine is sourced from PubChem (CID 143811751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).