2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine

C19H25NO3 — CID 47084874

IUPAC2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(OC)c(OC)cc1CNC(C)(C)c1ccccc1
InChIInChI=1S/C19H25NO3/c1-19(2,15-9-7-6-8-10-15)20-13-14-11-17(22-4)18(23-5)12-16(14)21-3/h6-12,20H,13H2,1-5H3
InChIKeyPNNQAQOJAPRJGE-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.74
Rot. Bonds7

About 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine

2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine (PubChem CID 47084874) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
PubChem CID47084874
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(OC)c(OC)cc1CNC(C)(C)c1ccccc1
InChIInChI=1S/C19H25NO3/c1-19(2,15-9-7-6-8-10-15)20-13-14-11-17(22-4)18(23-5)12-16(14)21-3/h6-12,20H,13H2,1-5H3
InChIKeyPNNQAQOJAPRJGE-UHFFFAOYSA-N
XLogP3.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine (CID 47084874) is 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine is COc1cc(OC)c(OC)cc1CNC(C)(C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The InChIKey is PNNQAQOJAPRJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-19(2,15-9-7-6-8-10-15)20-13-14-11-17(22-4)18(23-5)12-16(14)21-3/h6-12,20H,13H2,1-5H3.
What are the key properties of 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine has a molecular weight of 315.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 47084874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).