N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine

C19H25NO2 — CID 14909645

IUPACN-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
SMILESCOc1ccc(COCCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-20(15-17-7-4-3-5-8-17)13-6-14-22-16-18-9-11-19(21-2)12-10-18/h3-5,7-12H,6,13-16H2,1-2H3
InChIKeyFGOYCSXBMRTEEZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.73
Rot. Bonds9

About N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine

N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine (PubChem CID 14909645) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
PubChem CID14909645
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
SMILESCOc1ccc(COCCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO2/c1-20(15-17-7-4-3-5-8-17)13-6-14-22-16-18-9-11-19(21-2)12-10-18/h3-5,7-12H,6,13-16H2,1-2H3
InChIKeyFGOYCSXBMRTEEZ-UHFFFAOYSA-N
XLogP3.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-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-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
1-[(4-methoxyphenyl)methyl]-1,2-dimethyl-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111272312
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
CID 61417751
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
CID 54566866
3-anthracen-9-yl-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 156612694

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine?
The IUPAC name of N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine (CID 14909645) is N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine?
The canonical SMILES for N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine is COc1ccc(COCCCN(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine?
The InChIKey is FGOYCSXBMRTEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-20(15-17-7-4-3-5-8-17)13-6-14-22-16-18-9-11-19(21-2)12-10-18/h3-5,7-12H,6,13-16H2,1-2H3.
What are the key properties of N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine?
N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 14909645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).