N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine

C16H27NO — CID 62042780

IUPACN-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
SMILESCCCC(COc1c(C)cc(C)cc1C)NCC
InChIInChI=1S/C16H27NO/c1-6-8-15(17-7-2)11-18-16-13(4)9-12(3)10-14(16)5/h9-10,15,17H,6-8,11H2,1-5H3
InChIKeyCBHCSDFBVXLVBZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.77
Rot. Bonds7

About N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine

N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine (PubChem CID 62042780) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
PubChem CID62042780
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
SMILESCCCC(COc1c(C)cc(C)cc1C)NCC
InChIInChI=1S/C16H27NO/c1-6-8-15(17-7-2)11-18-16-13(4)9-12(3)10-14(16)5/h9-10,15,17H,6-8,11H2,1-5H3
InChIKeyCBHCSDFBVXLVBZ-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
CID 63499435
N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
CID 62041063
1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
CID 62042546
4-(3,5-dimethylphenoxy)-3-(ethylamino)butan-1-ol
CID 64897803
4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318913
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
N-ethyl-3-(2,3,5-trimethylphenoxy)heptan-4-amine
CID 63473490
N-ethyl-1-(2-phenylethoxy)pentan-2-amine
CID 114999655
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine?
The IUPAC name of N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine (CID 62042780) is N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine is CCCC(COc1c(C)cc(C)cc1C)NCC.
What is the InChIKey of N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine?
The InChIKey is CBHCSDFBVXLVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-8-15(17-7-2)11-18-16-13(4)9-12(3)10-14(16)5/h9-10,15,17H,6-8,11H2,1-5H3.
What are the key properties of N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine?
N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine is sourced from PubChem (CID 62042780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).