4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline

C15H26N2 — CID 43587074

IUPAC4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CN(CC)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2/c1-4-13(5-2)12-17(6-3)15-9-7-14(11-16)8-10-15/h7-10,13H,4-6,11-12,16H2,1-3H3
InChIKeyMYTRLHODGCFHRL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.41
Rot. Bonds7

About 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline

4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline (PubChem CID 43587074) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
PubChem CID43587074
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
SMILESCCC(CC)CN(CC)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2/c1-4-13(5-2)12-17(6-3)15-9-7-14(11-16)8-10-15/h7-10,13H,4-6,11-12,16H2,1-3H3
InChIKeyMYTRLHODGCFHRL-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
CID 102813533
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
4-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)aniline
CID 43807520
1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 43588630
N-[[4-(aminomethyl)phenyl]methyl]-2-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 23992654
N-[2-(bromomethyl)butyl]-N-ethyl-4-fluoroaniline
CID 64997671
4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
CID 43275905
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416
2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 63406140

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline (CID 43587074) is 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline is CCC(CC)CN(CC)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline?
The InChIKey is MYTRLHODGCFHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-13(5-2)12-17(6-3)15-9-7-14(11-16)8-10-15/h7-10,13H,4-6,11-12,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline?
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline has a molecular weight of 234.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline is sourced from PubChem (CID 43587074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).