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

C11H17NO — CID 22688786

IUPAC2-(2,3-dimethylphenoxy)propan-1-amine
SMILESCc1cccc(OC(C)CN)c1C
InChIInChI=1S/C11H17NO/c1-8-5-4-6-11(10(8)3)13-9(2)7-12/h4-6,9H,7,12H2,1-3H3
InChIKeyMOAUQIVUTQTMNV-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.03
Rot. Bonds3

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

2-(2,3-dimethylphenoxy)propan-1-amine (PubChem CID 22688786) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)propan-1-amine
PubChem CID22688786
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2,3-dimethylphenoxy)propan-1-amine
SMILESCc1cccc(OC(C)CN)c1C
InChIInChI=1S/C11H17NO/c1-8-5-4-6-11(10(8)3)13-9(2)7-12/h4-6,9H,7,12H2,1-3H3
InChIKeyMOAUQIVUTQTMNV-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
1-(2,3-dimethylphenoxy)propan-1-amine
CID 21429261
N-tert-butyl-3-(2,3-dimethylphenoxy)butan-1-amine
CID 114996294
3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
4-(2,3-dimethylphenoxy)-N-propylpentan-2-amine
CID 64707882
ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate
CID 64707450
2-(2-methylsulfanylphenoxy)propan-1-amine
CID 63648328
2-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 86262696
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
2-(2,3-dimethylphenoxy)-3-methyl-1-phenylbutan-1-amine
CID 43098227
sodium 1-[(2,3-dimethylphenoxy)-oxido-sulfidophosphaniumyl]oxy-2,3-dimethylbenzene
CID 101310875

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)propan-1-amine?
The IUPAC name of 2-(2,3-dimethylphenoxy)propan-1-amine (CID 22688786) is 2-(2,3-dimethylphenoxy)propan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)propan-1-amine?
The canonical SMILES for 2-(2,3-dimethylphenoxy)propan-1-amine is Cc1cccc(OC(C)CN)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)propan-1-amine?
The InChIKey is MOAUQIVUTQTMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-4-6-11(10(8)3)13-9(2)7-12/h4-6,9H,7,12H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)propan-1-amine?
2-(2,3-dimethylphenoxy)propan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)propan-1-amine is sourced from PubChem (CID 22688786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).