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

C13H21NO — CID 83045210

IUPAC2-(2,3-dimethylphenoxy)pentan-1-amine
SMILESCCCC(CN)Oc1cccc(C)c1C
InChIInChI=1S/C13H21NO/c1-4-6-12(9-14)15-13-8-5-7-10(2)11(13)3/h5,7-8,12H,4,6,9,14H2,1-3H3
InChIKeyNMJHETXVRPUZRP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.81
Rot. Bonds5

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

2-(2,3-dimethylphenoxy)pentan-1-amine (PubChem CID 83045210) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)pentan-1-amine
PubChem CID83045210
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2,3-dimethylphenoxy)pentan-1-amine
SMILESCCCC(CN)Oc1cccc(C)c1C
InChIInChI=1S/C13H21NO/c1-4-6-12(9-14)15-13-8-5-7-10(2)11(13)3/h5,7-8,12H,4,6,9,14H2,1-3H3
InChIKeyNMJHETXVRPUZRP-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

2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
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-ethylphenoxy)pentan-1-amine
CID 83044721
2-(2-methylphenoxy)octan-1-amine
CID 155313069
1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
CID 141386895
1-(2,3-dimethylphenoxy)propan-1-amine
CID 21429261
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83045143
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine
CID 83044315
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)pentan-1-amine?
The IUPAC name of 2-(2,3-dimethylphenoxy)pentan-1-amine (CID 83045210) is 2-(2,3-dimethylphenoxy)pentan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)pentan-1-amine?
The canonical SMILES for 2-(2,3-dimethylphenoxy)pentan-1-amine is CCCC(CN)Oc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)pentan-1-amine?
The InChIKey is NMJHETXVRPUZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-12(9-14)15-13-8-5-7-10(2)11(13)3/h5,7-8,12H,4,6,9,14H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)pentan-1-amine?
2-(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 2-(2,3-dimethylphenoxy)pentan-1-amine is sourced from PubChem (CID 83045210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).