2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine

C14H23NO — CID 83044503

IUPAC2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
SMILESCCCC(CNC)Oc1cccc(C)c1C
InChIInChI=1S/C14H23NO/c1-5-7-13(10-15-4)16-14-9-6-8-11(2)12(14)3/h6,8-9,13,15H,5,7,10H2,1-4H3
InChIKeyLBMWBKRRUVSKLS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine

2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine (PubChem CID 83044503) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
PubChem CID83044503
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
SMILESCCCC(CNC)Oc1cccc(C)c1C
InChIInChI=1S/C14H23NO/c1-5-7-13(10-15-4)16-14-9-6-8-11(2)12(14)3/h6,8-9,13,15H,5,7,10H2,1-4H3
InChIKeyLBMWBKRRUVSKLS-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine
CID 83045840
1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
CID 141386895
2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
CID 62454029
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
CID 107661333
3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107661313
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683
1-(2,3-dimethylphenoxy)propan-1-amine
CID 21429261

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine (CID 83044503) is 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine is CCCC(CNC)Oc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine?
The InChIKey is LBMWBKRRUVSKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-7-13(10-15-4)16-14-9-6-8-11(2)12(14)3/h6,8-9,13,15H,5,7,10H2,1-4H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine?
2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 83044503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).