2-(2,4,5-trimethoxyphenyl)propan-2-amine

C12H19NO3 — CID 15102791

IUPAC2-(2,4,5-trimethoxyphenyl)propan-2-amine
SMILESCOc1cc(OC)c(C(C)(C)N)cc1OC
InChIInChI=1S/C12H19NO3/c1-12(2,13)8-6-10(15-4)11(16-5)7-9(8)14-3/h6-7H,13H2,1-5H3
InChIKeyMRXCSGYGIMXNRN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.91
Rot. Bonds4

About 2-(2,4,5-trimethoxyphenyl)propan-2-amine

2-(2,4,5-trimethoxyphenyl)propan-2-amine (PubChem CID 15102791) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2,4,5-trimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2,4,5-trimethoxyphenyl)propan-2-amine
PubChem CID15102791
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(2,4,5-trimethoxyphenyl)propan-2-amine
SMILESCOc1cc(OC)c(C(C)(C)N)cc1OC
InChIInChI=1S/C12H19NO3/c1-12(2,13)8-6-10(15-4)11(16-5)7-9(8)14-3/h6-7H,13H2,1-5H3
InChIKeyMRXCSGYGIMXNRN-UHFFFAOYSA-N
XLogP1.91
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
CID 117386623
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117319995
N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 96840579
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine
CID 112518955
2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84783245
2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine
CID 117302166
2-(5-methoxy-1-methylindol-6-yl)propan-2-amine
CID 96609929

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trimethoxyphenyl)propan-2-amine?
The IUPAC name of 2-(2,4,5-trimethoxyphenyl)propan-2-amine (CID 15102791) is 2-(2,4,5-trimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(2,4,5-trimethoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(2,4,5-trimethoxyphenyl)propan-2-amine is COc1cc(OC)c(C(C)(C)N)cc1OC.
What is the InChIKey of 2-(2,4,5-trimethoxyphenyl)propan-2-amine?
The InChIKey is MRXCSGYGIMXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,13)8-6-10(15-4)11(16-5)7-9(8)14-3/h6-7H,13H2,1-5H3.
What are the key properties of 2-(2,4,5-trimethoxyphenyl)propan-2-amine?
2-(2,4,5-trimethoxyphenyl)propan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 15102791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).