2,4-dimethyl-4-phenoxypentan-2-amine

C13H21NO — CID 91544651

IUPAC2,4-dimethyl-4-phenoxypentan-2-amine
SMILESCC(C)(N)CC(C)(C)Oc1ccccc1
InChIInChI=1S/C13H21NO/c1-12(2,14)10-13(3,4)15-11-8-6-5-7-9-11/h5-9H,10,14H2,1-4H3
InChIKeyDQUSVPYAMHUPIF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds4

About 2,4-dimethyl-4-phenoxypentan-2-amine

2,4-dimethyl-4-phenoxypentan-2-amine (PubChem CID 91544651) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,4-dimethyl-4-phenoxypentan-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-4-phenoxypentan-2-amine
PubChem CID91544651
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2,4-dimethyl-4-phenoxypentan-2-amine
SMILESCC(C)(N)CC(C)(C)Oc1ccccc1
InChIInChI=1S/C13H21NO/c1-12(2,14)10-13(3,4)15-11-8-6-5-7-9-11/h5-9H,10,14H2,1-4H3
InChIKeyDQUSVPYAMHUPIF-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene
CID 156565005
3-methyl-3-phenoxybutan-1-ol
CID 59317089
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
2-phenoxybutan-2-ylphosphane
CID 89070581
1-[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl]oxy-4-methylbenzene
CID 142305677
2-(4-benzylphenoxy)-2-methylpropan-1-amine
CID 62353621
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
2-iodopropan-2-yloxybenzene
CID 147876431
1-(4-iodo-2,4-dimethylpentan-2-yl)oxy-4-methylbenzene
CID 126490434
(3-methyl-3-phenoxybutoxy)methylbenzene
CID 59317010
triphenoxymethylphosphane
CID 18472089

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-phenoxypentan-2-amine?
The IUPAC name of 2,4-dimethyl-4-phenoxypentan-2-amine (CID 91544651) is 2,4-dimethyl-4-phenoxypentan-2-amine.
What is the SMILES notation for 2,4-dimethyl-4-phenoxypentan-2-amine?
The canonical SMILES for 2,4-dimethyl-4-phenoxypentan-2-amine is CC(C)(N)CC(C)(C)Oc1ccccc1.
What is the InChIKey of 2,4-dimethyl-4-phenoxypentan-2-amine?
The InChIKey is DQUSVPYAMHUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(2,14)10-13(3,4)15-11-8-6-5-7-9-11/h5-9H,10,14H2,1-4H3.
What are the key properties of 2,4-dimethyl-4-phenoxypentan-2-amine?
2,4-dimethyl-4-phenoxypentan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-phenoxypentan-2-amine is sourced from PubChem (CID 91544651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).