3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine

C13H21NO — CID 29015412

IUPAC3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
SMILESCCNCCCOc1ccc(C)cc1C
InChIInChI=1S/C13H21NO/c1-4-14-8-5-9-15-13-7-6-11(2)10-12(13)3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyKIHCRVSBAMOFDF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds6

About 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine

3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine (PubChem CID 29015412) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
PubChem CID29015412
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
SMILESCCNCCCOc1ccc(C)cc1C
InChIInChI=1S/C13H21NO/c1-4-14-8-5-9-15-13-7-6-11(2)10-12(13)3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyKIHCRVSBAMOFDF-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
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

4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
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5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine
CID 55161142
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641
N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide
CID 20661102
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404
2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile
CID 107931973
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine (CID 29015412) is 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine is CCNCCCOc1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine?
The InChIKey is KIHCRVSBAMOFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-14-8-5-9-15-13-7-6-11(2)10-12(13)3/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine?
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 29015412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).