1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine

C18H21NO — CID 114522580

IUPAC1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C18H21NO/c1-13(19-2)17-8-3-4-9-18(17)14-6-5-7-16(12-14)20-15-10-11-15/h3-9,12-13,15,19H,10-11H2,1-2H3
InChIKeyGESADSHIZWQODZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.18
Rot. Bonds5

About 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine

1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine (PubChem CID 114522580) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine
PubChem CID114522580
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C18H21NO/c1-13(19-2)17-8-3-4-9-18(17)14-6-5-7-16(12-14)20-15-10-11-15/h3-9,12-13,15,19H,10-11H2,1-2H3
InChIKeyGESADSHIZWQODZ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine (CID 114522580) is 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine is CNC(C)c1ccccc1-c1cccc(OC2CC2)c1.
What is the InChIKey of 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine?
The InChIKey is GESADSHIZWQODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(19-2)17-8-3-4-9-18(17)14-6-5-7-16(12-14)20-15-10-11-15/h3-9,12-13,15,19H,10-11H2,1-2H3.
What are the key properties of 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine?
1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine has a molecular weight of 267.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 114522580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).