N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine

C17H29N — CID 43490965

IUPACN-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine
SMILESCCNC(CC(C)C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C17H29N/c1-8-18-16(9-11(2)3)17-14(6)12(4)10-13(5)15(17)7/h10-11,16,18H,8-9H2,1-7H3
InChIKeyWTYGBPUYQMEWFI-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.62
Rot. Bonds5

About N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine

N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine (PubChem CID 43490965) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine
PubChem CID43490965
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine
SMILESCCNC(CC(C)C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C17H29N/c1-8-18-16(9-11(2)3)17-14(6)12(4)10-13(5)15(17)7/h10-11,16,18H,8-9H2,1-7H3
InChIKeyWTYGBPUYQMEWFI-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 43490948
N-ethyl-3-methyl-1-(2,3,4,5,6-pentafluorophenyl)butan-1-amine
CID 115782628
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81472790
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
N-ethyl-3-methyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 65104847
1-(3,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 115782535
N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine
CID 60820218
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
N-ethyl-3-methyl-1-pyridazin-4-ylbutan-1-amine
CID 105082936
1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 43492979

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine (CID 43490965) is N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine is CCNC(CC(C)C)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The InChIKey is WTYGBPUYQMEWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-8-18-16(9-11(2)3)17-14(6)12(4)10-13(5)15(17)7/h10-11,16,18H,8-9H2,1-7H3.
What are the key properties of N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine?
N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine is sourced from PubChem (CID 43490965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).