N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine

C14H23NO — CID 62484244

IUPACN-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
SMILESCCC(CNC)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C14H23NO/c1-6-13(9-15-5)16-14-8-10(2)7-11(3)12(14)4/h7-8,13,15H,6,9H2,1-5H3
InChIKeyFIEPFAKWLHIZFK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine

N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine (PubChem CID 62484244) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
PubChem CID62484244
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
SMILESCCC(CNC)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C14H23NO/c1-6-13(9-15-5)16-14-8-10(2)7-11(3)12(14)4/h7-8,13,15H,6,9H2,1-5H3
InChIKeyFIEPFAKWLHIZFK-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
The IUPAC name of N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine (CID 62484244) is N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine.
What is the SMILES notation for N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
The canonical SMILES for N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine is CCC(CNC)Oc1cc(C)cc(C)c1C.
What is the InChIKey of N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
The InChIKey is FIEPFAKWLHIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-13(9-15-5)16-14-8-10(2)7-11(3)12(14)4/h7-8,13,15H,6,9H2,1-5H3.
What are the key properties of N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine is sourced from PubChem (CID 62484244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).