N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine

C16H27N — CID 2803027

IUPACN-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
SMILESCCN(CC)Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H27N/c1-8-17(9-2)10-16-14(6)12(4)11(3)13(5)15(16)7/h8-10H2,1-7H3
InChIKeyZHISQQPQTFOUCP-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.07
Rot. Bonds4

About N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine

N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine (PubChem CID 2803027) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
PubChem CID2803027
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
SMILESCCN(CC)Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H27N/c1-8-17(9-2)10-16-14(6)12(4)11(3)13(5)15(16)7/h8-10H2,1-7H3
InChIKeyZHISQQPQTFOUCP-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine (CID 2803027) is N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine is CCN(CC)Cc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
The InChIKey is ZHISQQPQTFOUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-8-17(9-2)10-16-14(6)12(4)11(3)13(5)15(16)7/h8-10H2,1-7H3.
What are the key properties of N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine?
N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine has a molecular weight of 233.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine is sourced from PubChem (CID 2803027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).