N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine

C15H25NO4 — CID 82711410

IUPACN-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)NOCC(C)C)cc(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-10(2)9-20-16-11(3)12-7-13(17-4)15(19-6)14(8-12)18-5/h7-8,10-11,16H,9H2,1-6H3
InChIKeyXLAHNDMFWHMQIZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.95
Rot. Bonds8

About N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine

N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 82711410) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID82711410
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC NameN-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)NOCC(C)C)cc(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-10(2)9-20-16-11(3)12-7-13(17-4)15(19-6)14(8-12)18-5/h7-8,10-11,16H,9H2,1-6H3
InChIKeyXLAHNDMFWHMQIZ-UHFFFAOYSA-N
XLogP2.95
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine 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

N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82708974
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82710974
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
CID 43173534
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 82711410) is N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc(C(C)NOCC(C)C)cc(OC)c1OC.
What is the InChIKey of N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is XLAHNDMFWHMQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(2)9-20-16-11(3)12-7-13(17-4)15(19-6)14(8-12)18-5/h7-8,10-11,16H,9H2,1-6H3.
What are the key properties of N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine?
N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 283.37 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 82711410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).