2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine

C19H25NO2 — CID 82138492

IUPAC2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine
SMILESCOc1ccccc1OCCC(CN)c1cc(C)ccc1C
InChIInChI=1S/C19H25NO2/c1-14-8-9-15(2)17(12-14)16(13-20)10-11-22-19-7-5-4-6-18(19)21-3/h4-9,12,16H,10-11,13,20H2,1-3H3
InChIKeyKTISSKIJCQONOL-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.82
Rot. Bonds7

About 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine

2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine (PubChem CID 82138492) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine
PubChem CID82138492
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine
SMILESCOc1ccccc1OCCC(CN)c1cc(C)ccc1C
InChIInChI=1S/C19H25NO2/c1-14-8-9-15(2)17(12-14)16(13-20)10-11-22-19-7-5-4-6-18(19)21-3/h4-9,12,16H,10-11,13,20H2,1-3H3
InChIKeyKTISSKIJCQONOL-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-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-(2-methoxyphenoxy)-2-(3-methylphenyl)butan-1-amine
CID 79422486
4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138051
1-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]-2-methylbenzene
CID 79424438
2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 79429853
2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine
CID 19597880
4-(2,5-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137686
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
3-amino-2-(2,5-dimethylphenyl)propan-1-ol
CID 82280728
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 112538807
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
CID 82138148

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine (CID 82138492) is 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine is COc1ccccc1OCCC(CN)c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine?
The InChIKey is KTISSKIJCQONOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14-8-9-15(2)17(12-14)16(13-20)10-11-22-19-7-5-4-6-18(19)21-3/h4-9,12,16H,10-11,13,20H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine?
2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine is sourced from PubChem (CID 82138492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).