3-(2,4-dimethylphenoxy)propan-1-amine

C11H17NO — CID 14025831

IUPAC3-(2,4-dimethylphenoxy)propan-1-amine
SMILESCc1ccc(OCCCN)c(C)c1
InChIInChI=1S/C11H17NO/c1-9-4-5-11(10(2)8-9)13-7-3-6-12/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyIENJSIDXLXEFPK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.03
Rot. Bonds4

About 3-(2,4-dimethylphenoxy)propan-1-amine

3-(2,4-dimethylphenoxy)propan-1-amine (PubChem CID 14025831) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)propan-1-amine
PubChem CID14025831
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(2,4-dimethylphenoxy)propan-1-amine
SMILESCc1ccc(OCCCN)c(C)c1
InChIInChI=1S/C11H17NO/c1-9-4-5-11(10(2)8-9)13-7-3-6-12/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyIENJSIDXLXEFPK-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.03
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

2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
3-[4-(2,4-dimethylphenoxy)butoxy]-2-methylaniline
CID 82097265
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22687843
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
CID 2057942

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)propan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenoxy)propan-1-amine (CID 14025831) is 3-(2,4-dimethylphenoxy)propan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)propan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenoxy)propan-1-amine is Cc1ccc(OCCCN)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)propan-1-amine?
The InChIKey is IENJSIDXLXEFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-5-11(10(2)8-9)13-7-3-6-12/h4-5,8H,3,6-7,12H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenoxy)propan-1-amine?
3-(2,4-dimethylphenoxy)propan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)propan-1-amine is sourced from PubChem (CID 14025831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).