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

C13H21NO — CID 43368078

IUPAC3-(2,3-dimethylphenoxy)pentan-1-amine
SMILESCCC(CCN)Oc1cccc(C)c1C
InChIInChI=1S/C13H21NO/c1-4-12(8-9-14)15-13-7-5-6-10(2)11(13)3/h5-7,12H,4,8-9,14H2,1-3H3
InChIKeyUEJYYHTYBYIHNP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.81
Rot. Bonds5

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

3-(2,3-dimethylphenoxy)pentan-1-amine (PubChem CID 43368078) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)pentan-1-amine
PubChem CID43368078
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2,3-dimethylphenoxy)pentan-1-amine
SMILESCCC(CCN)Oc1cccc(C)c1C
InChIInChI=1S/C13H21NO/c1-4-12(8-9-14)15-13-7-5-6-10(2)11(13)3/h5-7,12H,4,8-9,14H2,1-3H3
InChIKeyUEJYYHTYBYIHNP-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
3-(2-fluorophenoxy)pentan-1-amine
CID 43368122
1-(2,3-dimethylphenoxy)propan-1-amine
CID 21429261
3-(2-methylquinolin-8-yl)oxypentan-1-amine
CID 43175250
2-(2,3-dimethylphenoxy)propan-1-amine
CID 22688786
2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
CID 141386895
1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol
CID 112508032
3-(4-chloronaphthalen-1-yl)oxypentan-1-amine
CID 43804632
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine
CID 43530998
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)pentan-1-amine?
The IUPAC name of 3-(2,3-dimethylphenoxy)pentan-1-amine (CID 43368078) is 3-(2,3-dimethylphenoxy)pentan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)pentan-1-amine?
The canonical SMILES for 3-(2,3-dimethylphenoxy)pentan-1-amine is CCC(CCN)Oc1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)pentan-1-amine?
The InChIKey is UEJYYHTYBYIHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(8-9-14)15-13-7-5-6-10(2)11(13)3/h5-7,12H,4,8-9,14H2,1-3H3.
What are the key properties of 3-(2,3-dimethylphenoxy)pentan-1-amine?
3-(2,3-dimethylphenoxy)pentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)pentan-1-amine is sourced from PubChem (CID 43368078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).