(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine

C15H25NO3 — CID 171199872

IUPAC(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
SMILESCOc1ccc([C@H](N)CCC(C)C)c(OC)c1OC
InChIInChI=1S/C15H25NO3/c1-10(2)6-8-12(16)11-7-9-13(17-3)15(19-5)14(11)18-4/h7,9-10,12H,6,8,16H2,1-5H3/t12-/m1/s1
InChIKeyPLPKHDYXNDCODH-GFCCVEGCSA-N
MW267.37 g/mol
LogP3.15
Rot. Bonds7

About (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine

(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine (PubChem CID 171199872) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
PubChem CID171199872
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
SMILESCOc1ccc([C@H](N)CCC(C)C)c(OC)c1OC
InChIInChI=1S/C15H25NO3/c1-10(2)6-8-12(16)11-7-9-13(17-3)15(19-5)14(11)18-4/h7,9-10,12H,6,8,16H2,1-5H3/t12-/m1/s1
InChIKeyPLPKHDYXNDCODH-GFCCVEGCSA-N
XLogP3.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 115850047
(1S)-1-(2,3,4-trimethoxyphenyl)hexan-1-amine;hydrochloride
CID 171219374
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
(1S)-3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171219378
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545
5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid
CID 62942194
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236

Frequently Asked Questions

What is the IUPAC name of (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine?
The IUPAC name of (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine (CID 171199872) is (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine.
What is the SMILES notation for (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine?
The canonical SMILES for (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine is COc1ccc([C@H](N)CCC(C)C)c(OC)c1OC.
What is the InChIKey of (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine?
The InChIKey is PLPKHDYXNDCODH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)6-8-12(16)11-7-9-13(17-3)15(19-5)14(11)18-4/h7,9-10,12H,6,8,16H2,1-5H3/t12-/m1/s1.
What are the key properties of (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine?
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine is sourced from PubChem (CID 171199872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).