1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine

C24H35NO2 — CID 10642861

IUPAC1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine
SMILESCCCCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C24H35NO2/c1-3-4-5-6-10-13-22(25)18-21-14-15-23(26-2)24(19-21)27-17-16-20-11-8-7-9-12-20/h7-9,11-12,14-15,19,22H,3-6,10,13,16-18,25H2,1-2H3
InChIKeyXLJHMPLBBIWHFJ-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.55
Rot. Bonds13

About 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine

1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine (PubChem CID 10642861) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine
PubChem CID10642861
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine
SMILESCCCCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C24H35NO2/c1-3-4-5-6-10-13-22(25)18-21-14-15-23(26-2)24(19-21)27-17-16-20-11-8-7-9-12-20/h7-9,11-12,14-15,19,22H,3-6,10,13,16-18,25H2,1-2H3
InChIKeyXLJHMPLBBIWHFJ-UHFFFAOYSA-N
XLogP5.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine (CID 10642861) is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine is CCCCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1.
What is the InChIKey of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine?
The InChIKey is XLJHMPLBBIWHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-3-4-5-6-10-13-22(25)18-21-14-15-23(26-2)24(19-21)27-17-16-20-11-8-7-9-12-20/h7-9,11-12,14-15,19,22H,3-6,10,13,16-18,25H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine?
1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine has a molecular weight of 369.55 g/mol, XLogP of 5.55, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine is sourced from PubChem (CID 10642861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).