4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one

C20H25NO2 — CID 83953119

IUPAC4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
SMILESCc1ccc(C)c(COc2ccc(C(=O)CCC(C)N)cc2)c1
InChIInChI=1S/C20H25NO2/c1-14-4-5-15(2)18(12-14)13-23-19-9-7-17(8-10-19)20(22)11-6-16(3)21/h4-5,7-10,12,16H,6,11,13,21H2,1-3H3
InChIKeyXVSTURMACAKEIK-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.19
Rot. Bonds7

About 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one

4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one (PubChem CID 83953119) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
PubChem CID83953119
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
SMILESCc1ccc(C)c(COc2ccc(C(=O)CCC(C)N)cc2)c1
InChIInChI=1S/C20H25NO2/c1-14-4-5-15(2)18(12-14)13-23-19-9-7-17(8-10-19)20(22)11-6-16(3)21/h4-5,7-10,12,16H,6,11,13,21H2,1-3H3
InChIKeyXVSTURMACAKEIK-UHFFFAOYSA-N
XLogP4.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one 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-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone
CID 83953133
4-amino-1-(4-hydroxyphenyl)pentan-1-one
CID 155205061
4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
CID 61481990
4-[3-[(2,5-dimethylphenyl)methoxy]phenyl]butan-2-amine
CID 83952087
4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
CID 107129738
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999556
[4-[(2,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 61481951
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982
1-[4-(2-amino-3-hydroxy-2-methylpropoxy)phenyl]-4-(2,5-dimethylphenyl)butan-1-one
CID 11405572
2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde
CID 91241633
4-[(2,4-dimethylphenyl)methoxy]benzoic acid
CID 131881242

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one?
The IUPAC name of 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one (CID 83953119) is 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one?
The canonical SMILES for 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one is Cc1ccc(C)c(COc2ccc(C(=O)CCC(C)N)cc2)c1.
What is the InChIKey of 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one?
The InChIKey is XVSTURMACAKEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-4-5-15(2)18(12-14)13-23-19-9-7-17(8-10-19)20(22)11-6-16(3)21/h4-5,7-10,12,16H,6,11,13,21H2,1-3H3.
What are the key properties of 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one?
4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one has a molecular weight of 311.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one is sourced from PubChem (CID 83953119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).