4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine

C16H27NO — CID 2057942

IUPAC4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccc(C)cc1C
InChIInChI=1S/C16H27NO/c1-5-17(6-2)11-7-8-12-18-16-10-9-14(3)13-15(16)4/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyNSSUOMPVHDMIHF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.80
Rot. Bonds8

About 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine

4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine (PubChem CID 2057942) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
PubChem CID2057942
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccc(C)cc1C
InChIInChI=1S/C16H27NO/c1-5-17(6-2)11-7-8-12-18-16-10-9-14(3)13-15(16)4/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyNSSUOMPVHDMIHF-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine
CID 59873231
N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol
CID 118501595
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 55580634
2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
3-[4-(2,4-dimethylphenoxy)butoxy]-2-methylaniline
CID 82097265
1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 43505039

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine?
The IUPAC name of 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine (CID 2057942) is 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine is CCN(CC)CCCCOc1ccc(C)cc1C.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine?
The InChIKey is NSSUOMPVHDMIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17(6-2)11-7-8-12-18-16-10-9-14(3)13-15(16)4/h9-10,13H,5-8,11-12H2,1-4H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine?
4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine is sourced from PubChem (CID 2057942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).