5-methoxy-1-phenyl-N-propyloctan-4-amine

C18H31NO — CID 116719481

IUPAC5-methoxy-1-phenyl-N-propyloctan-4-amine
SMILESCCCNC(CCCc1ccccc1)C(CCC)OC
InChIInChI=1S/C18H31NO/c1-4-10-18(20-3)17(19-15-5-2)14-9-13-16-11-7-6-8-12-16/h6-8,11-12,17-19H,4-5,9-10,13-15H2,1-3H3
InChIKeySCQZCCNACZWOMO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.19
Rot. Bonds11

About 5-methoxy-1-phenyl-N-propyloctan-4-amine

5-methoxy-1-phenyl-N-propyloctan-4-amine (PubChem CID 116719481) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 5-methoxy-1-phenyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name5-methoxy-1-phenyl-N-propyloctan-4-amine
PubChem CID116719481
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name5-methoxy-1-phenyl-N-propyloctan-4-amine
SMILESCCCNC(CCCc1ccccc1)C(CCC)OC
InChIInChI=1S/C18H31NO/c1-4-10-18(20-3)17(19-15-5-2)14-9-13-16-11-7-6-8-12-16/h6-8,11-12,17-19H,4-5,9-10,13-15H2,1-3H3
InChIKeySCQZCCNACZWOMO-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenyl-N-propyloctan-4-amine?
The IUPAC name of 5-methoxy-1-phenyl-N-propyloctan-4-amine (CID 116719481) is 5-methoxy-1-phenyl-N-propyloctan-4-amine.
What is the SMILES notation for 5-methoxy-1-phenyl-N-propyloctan-4-amine?
The canonical SMILES for 5-methoxy-1-phenyl-N-propyloctan-4-amine is CCCNC(CCCc1ccccc1)C(CCC)OC.
What is the InChIKey of 5-methoxy-1-phenyl-N-propyloctan-4-amine?
The InChIKey is SCQZCCNACZWOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-10-18(20-3)17(19-15-5-2)14-9-13-16-11-7-6-8-12-16/h6-8,11-12,17-19H,4-5,9-10,13-15H2,1-3H3.
What are the key properties of 5-methoxy-1-phenyl-N-propyloctan-4-amine?
5-methoxy-1-phenyl-N-propyloctan-4-amine has a molecular weight of 277.45 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenyl-N-propyloctan-4-amine is sourced from PubChem (CID 116719481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).