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

C19H25NO2 — CID 82138370

IUPAC2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
SMILESCOc1ccc(C(CN)CCCOc2ccccc2C)cc1
InChIInChI=1S/C19H25NO2/c1-15-6-3-4-8-19(15)22-13-5-7-17(14-20)16-9-11-18(21-2)12-10-16/h3-4,6,8-12,17H,5,7,13-14,20H2,1-2H3
InChIKeyDFYOEFFAYGKEQL-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.91
Rot. Bonds8

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

2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine (PubChem CID 82138370) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
PubChem CID82138370
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
SMILESCOc1ccc(C(CN)CCCOc2ccccc2C)cc1
InChIInChI=1S/C19H25NO2/c1-15-6-3-4-8-19(15)22-13-5-7-17(14-20)16-9-11-18(21-2)12-10-16/h3-4,6,8-12,17H,5,7,13-14,20H2,1-2H3
InChIKeyDFYOEFFAYGKEQL-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'}

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Related Compounds

4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138304
5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
CID 82138009
2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895
2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 79429853
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138462
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine (CID 82138370) is 2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine is COc1ccc(C(CN)CCCOc2ccccc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine?
The InChIKey is DFYOEFFAYGKEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-6-3-4-8-19(15)22-13-5-7-17(14-20)16-9-11-18(21-2)12-10-16/h3-4,6,8-12,17H,5,7,13-14,20H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine?
2-(4-methoxyphenyl)-5-(2-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-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 82138370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).