N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine

C13H21NO3 — CID 112514037

IUPACN-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCNCC(C)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-9(8-14-2)10-6-12(16-4)13(17-5)7-11(10)15-3/h6-7,9,14H,8H2,1-5H3
InChIKeyYOOIIPJBBYGGDD-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine

N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine (PubChem CID 112514037) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
PubChem CID112514037
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCNCC(C)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-9(8-14-2)10-6-12(16-4)13(17-5)7-11(10)15-3/h6-7,9,14H,8H2,1-5H3
InChIKeyYOOIIPJBBYGGDD-UHFFFAOYSA-N
XLogP2.04
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine
CID 82089445
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
CID 91567159
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
2-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-N-methylethanamine
CID 112512367
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
[5-methyl-1-(2,4,5-trimethoxyphenyl)hexyl]hydrazine
CID 105331230
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859181
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
2-(2-methylpropylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 61001564

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine?
The IUPAC name of N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine (CID 112514037) is N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine is CNCC(C)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine?
The InChIKey is YOOIIPJBBYGGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(8-14-2)10-6-12(16-4)13(17-5)7-11(10)15-3/h6-7,9,14H,8H2,1-5H3.
What are the key properties of N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine?
N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 112514037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).