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

C14H23NO — CID 62452410

IUPAC4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
SMILESCCNCCCCOc1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-4-15-9-5-6-10-16-14-8-7-12(2)11-13(14)3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyUSULMJFMESRZTF-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds7

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

4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine (PubChem CID 62452410) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
PubChem CID62452410
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
SMILESCCNCCCCOc1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-4-15-9-5-6-10-16-14-8-7-12(2)11-13(14)3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyUSULMJFMESRZTF-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine
CID 55161142
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine
CID 63492667
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
CID 2057942
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
CID 27186818
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
CID 65306553
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine?
The IUPAC name of 4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine (CID 62452410) is 4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine is CCNCCCCOc1ccc(C)cc1C.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine?
The InChIKey is USULMJFMESRZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-15-9-5-6-10-16-14-8-7-12(2)11-13(14)3/h7-8,11,15H,4-6,9-10H2,1-3H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine?
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine is sourced from PubChem (CID 62452410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).