2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline

C14H24N2 — CID 82925975

IUPAC2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline
SMILESCCC(CC)CN(C)c1ccccc1CN
InChIInChI=1S/C14H24N2/c1-4-12(5-2)11-16(3)14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyHJHWSZYBTBZLJS-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.02
Rot. Bonds6

About 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline

2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline (PubChem CID 82925975) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline
PubChem CID82925975
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline
SMILESCCC(CC)CN(C)c1ccccc1CN
InChIInChI=1S/C14H24N2/c1-4-12(5-2)11-16(3)14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyHJHWSZYBTBZLJS-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline (CID 82925975) is 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline is CCC(CC)CN(C)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline?
The InChIKey is HJHWSZYBTBZLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-12(5-2)11-16(3)14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,10-11,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline?
2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline is sourced from PubChem (CID 82925975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).