1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone

C20H25NO2 — CID 83953133

IUPAC1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccc(OCc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-4-11-21-13-20(22)17-7-9-19(10-8-17)23-14-18-12-15(2)5-6-16(18)3/h5-10,12,21H,4,11,13-14H2,1-3H3
InChIKeyKBHGJSHTWUYIPT-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.06
Rot. Bonds8

About 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone

1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone (PubChem CID 83953133) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone
PubChem CID83953133
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccc(OCc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-4-11-21-13-20(22)17-7-9-19(10-8-17)23-14-18-12-15(2)5-6-16(18)3/h5-10,12,21H,4,11,13-14H2,1-3H3
InChIKeyKBHGJSHTWUYIPT-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.06
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

1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
CID 83953119
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999556
2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde
CID 91241633
2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone
CID 82101214
4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
CID 61481990
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101873
[4-[(2,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 61481951
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
2-(pentylamino)-1-(4-propoxyphenyl)ethanone
CID 82101921
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982
4-[(2,4-dimethylphenyl)methoxy]benzoic acid
CID 131881242

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone?
The IUPAC name of 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone (CID 83953133) is 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone.
What is the SMILES notation for 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone?
The canonical SMILES for 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone is CCCNCC(=O)c1ccc(OCc2cc(C)ccc2C)cc1.
What is the InChIKey of 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone?
The InChIKey is KBHGJSHTWUYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-11-21-13-20(22)17-7-9-19(10-8-17)23-14-18-12-15(2)5-6-16(18)3/h5-10,12,21H,4,11,13-14H2,1-3H3.
What are the key properties of 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone?
1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone has a molecular weight of 311.43 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone is sourced from PubChem (CID 83953133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).