2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline

C14H24N2 — CID 43295960

IUPAC2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccccc1C(C)N
InChIInChI=1S/C14H24N2/c1-5-11(2)10-16(4)14-9-7-6-8-13(14)12(3)15/h6-9,11-12H,5,10,15H2,1-4H3
InChIKeyNKHSYISYYNIQDW-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.19
Rot. Bonds5

About 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline

2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline (PubChem CID 43295960) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
PubChem CID43295960
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccccc1C(C)N
InChIInChI=1S/C14H24N2/c1-5-11(2)10-16(4)14-9-7-6-8-13(14)12(3)15/h6-9,11-12H,5,10,15H2,1-4H3
InChIKeyNKHSYISYYNIQDW-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline (CID 43295960) is 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline is CCC(C)CN(C)c1ccccc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline?
The InChIKey is NKHSYISYYNIQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-11(2)10-16(4)14-9-7-6-8-13(14)12(3)15/h6-9,11-12H,5,10,15H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline?
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline has a molecular weight of 220.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 43295960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).