2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine

C19H25NO2 — CID 82138429

IUPAC2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
SMILESCOc1cccc(C(CN)CCCOc2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO2/c1-15-8-10-18(11-9-15)22-12-4-6-17(14-20)16-5-3-7-19(13-16)21-2/h3,5,7-11,13,17H,4,6,12,14,20H2,1-2H3
InChIKeyIHCHSCIQGJBPSD-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.91
Rot. Bonds8

About 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine

2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine (PubChem CID 82138429) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
PubChem CID82138429
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
SMILESCOc1cccc(C(CN)CCCOc2ccc(C)cc2)c1
InChIInChI=1S/C19H25NO2/c1-15-8-10-18(11-9-15)22-12-4-6-17(14-20)16-5-3-7-19(13-16)21-2/h3,5,7-11,13,17H,4,6,12,14,20H2,1-2H3
InChIKeyIHCHSCIQGJBPSD-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)-5-(4-methylphenoxy)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-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
CID 82138439
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
CID 82138041
3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138453
2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138370
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine
CID 117243107
2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 117242945
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine (CID 82138429) is 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine is COc1cccc(C(CN)CCCOc2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine?
The InChIKey is IHCHSCIQGJBPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-8-10-18(11-9-15)22-12-4-6-17(14-20)16-5-3-7-19(13-16)21-2/h3,5,7-11,13,17H,4,6,12,14,20H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine?
2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 82138429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).