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

C14H23NO3 — CID 4719004

IUPAC2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(OC)c(OC)cc1CNC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-14(2,3)15-9-10-7-12(17-5)13(18-6)8-11(10)16-4/h7-8,15H,9H2,1-6H3
InChIKeyMCWCHZSXKNUUJX-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.60
Rot. Bonds5

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

2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine (PubChem CID 4719004) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
PubChem CID4719004
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(OC)c(OC)cc1CNC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-14(2,3)15-9-10-7-12(17-5)13(18-6)8-11(10)16-4/h7-8,15H,9H2,1-6H3
InChIKeyMCWCHZSXKNUUJX-UHFFFAOYSA-N
XLogP2.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine (CID 4719004) is 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine is COc1cc(OC)c(OC)cc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The InChIKey is MCWCHZSXKNUUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)15-9-10-7-12(17-5)13(18-6)8-11(10)16-4/h7-8,15H,9H2,1-6H3.
What are the key properties of 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 4719004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).