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

C11H17NO — CID 21429261

IUPAC1-(2,3-dimethylphenoxy)propan-1-amine
SMILESCCC(N)Oc1cccc(C)c1C
InChIInChI=1S/C11H17NO/c1-4-11(12)13-10-7-5-6-8(2)9(10)3/h5-7,11H,4,12H2,1-3H3
InChIKeyKCOHPUSOBARCJN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.38
Rot. Bonds3

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

1-(2,3-dimethylphenoxy)propan-1-amine (PubChem CID 21429261) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2,3-dimethylphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenoxy)propan-1-amine
PubChem CID21429261
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2,3-dimethylphenoxy)propan-1-amine
SMILESCCC(N)Oc1cccc(C)c1C
InChIInChI=1S/C11H17NO/c1-4-11(12)13-10-7-5-6-8(2)9(10)3/h5-7,11H,4,12H2,1-3H3
InChIKeyKCOHPUSOBARCJN-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
2-(2,3-dimethylphenoxy)propan-1-amine
CID 22688786
2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
1-[3-(2,3-dimethylphenoxy)propoxy]butan-2-amine
CID 82353715
sodium 1-[(2,3-dimethylphenoxy)-oxido-sulfidophosphaniumyl]oxy-2,3-dimethylbenzene
CID 101310875
1-(2,5-dimethylphenoxy)propan-1-amine
CID 70392108
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
4-(2,3-dimethylphenoxy)-N-propylpentan-2-amine
CID 64707882
1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
CID 141386895
1-[3-(1-aminopropoxy)phenoxy]propan-1-amine
CID 21123306
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenoxy)propan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenoxy)propan-1-amine (CID 21429261) is 1-(2,3-dimethylphenoxy)propan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenoxy)propan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenoxy)propan-1-amine is CCC(N)Oc1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenoxy)propan-1-amine?
The InChIKey is KCOHPUSOBARCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-11(12)13-10-7-5-6-8(2)9(10)3/h5-7,11H,4,12H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenoxy)propan-1-amine?
1-(2,3-dimethylphenoxy)propan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenoxy)propan-1-amine is sourced from PubChem (CID 21429261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).