4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine

C14H23NO — CID 64707879

IUPAC4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Oc1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-10-6-7-14(11(2)8-10)16-13(4)9-12(3)15-5/h6-8,12-13,15H,9H2,1-5H3
InChIKeyWXQZVJVHHOADQG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds5

About 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine

4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine (PubChem CID 64707879) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine
PubChem CID64707879
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Oc1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-10-6-7-14(11(2)8-10)16-13(4)9-12(3)15-5/h6-8,12-13,15H,9H2,1-5H3
InChIKeyWXQZVJVHHOADQG-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571165
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300
4-(4-chlorophenoxy)-N-methylpentan-2-amine
CID 64720466
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
(2S)-2-(2,4-dimethylphenoxy)propanoyl chloride
CID 51663759
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine?
The IUPAC name of 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine (CID 64707879) is 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine is CNC(C)CC(C)Oc1ccc(C)cc1C.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine?
The InChIKey is WXQZVJVHHOADQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-6-7-14(11(2)8-10)16-13(4)9-12(3)15-5/h6-8,12-13,15H,9H2,1-5H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine?
4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine is sourced from PubChem (CID 64707879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).