2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine

C17H29NO3 — CID 79445775

IUPAC2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CNCCOC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H29NO3/c1-6-13(2)15(12-18-9-10-19-3)14-7-8-16(20-4)17(11-14)21-5/h7-8,11,13,15,18H,6,9-10,12H2,1-5H3
InChIKeyBRPFCPXCYCVAPH-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.07
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine

2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine (PubChem CID 79445775) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
PubChem CID79445775
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CNCCOC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H29NO3/c1-6-13(2)15(12-18-9-10-19-3)14-7-8-16(20-4)17(11-14)21-5/h7-8,11,13,15,18H,6,9-10,12H2,1-5H3
InChIKeyBRPFCPXCYCVAPH-UHFFFAOYSA-N
XLogP3.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-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

1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 107887072
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 79270541
4-methoxy-N-(2-methoxyethyl)-3-methyl-2-phenylbutan-1-amine
CID 113473078
N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 107887070
3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042
2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107887077
1-(4-chloro-3-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 79699447
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 65026713
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 116811094
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine (CID 79445775) is 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine is CCC(C)C(CNCCOC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
The InChIKey is BRPFCPXCYCVAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-6-13(2)15(12-18-9-10-19-3)14-7-8-16(20-4)17(11-14)21-5/h7-8,11,13,15,18H,6,9-10,12H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine is sourced from PubChem (CID 79445775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).