1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine

C20H27NO2 — CID 10064187

IUPAC1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(OC)c1CCCc1ccccc1
InChIInChI=1S/C20H27NO2/c1-15(21)12-17-13-19(22-2)18(20(14-17)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3
InChIKeyATJLAXPLVFCXTQ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.77
Rot. Bonds8

About 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine

1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine (PubChem CID 10064187) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
PubChem CID10064187
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(OC)c1CCCc1ccccc1
InChIInChI=1S/C20H27NO2/c1-15(21)12-17-13-19(22-2)18(20(14-17)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3
InChIKeyATJLAXPLVFCXTQ-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine (CID 10064187) is 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine is COc1cc(CC(C)N)cc(OC)c1CCCc1ccccc1.
What is the InChIKey of 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The InChIKey is ATJLAXPLVFCXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-15(21)12-17-13-19(22-2)18(20(14-17)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3.
What are the key properties of 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine has a molecular weight of 313.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine is sourced from PubChem (CID 10064187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).