N-butyl-4-(ethylaminomethyl)-N-methylaniline

C14H24N2 — CID 43280719

IUPACN-butyl-4-(ethylaminomethyl)-N-methylaniline
SMILESCCCCN(C)c1ccc(CNCC)cc1
InChIInChI=1S/C14H24N2/c1-4-6-11-16(3)14-9-7-13(8-10-14)12-15-5-2/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyFSTBMAFLUHLRHD-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.03
Rot. Bonds7

About N-butyl-4-(ethylaminomethyl)-N-methylaniline

N-butyl-4-(ethylaminomethyl)-N-methylaniline (PubChem CID 43280719) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-butyl-4-(ethylaminomethyl)-N-methylaniline.

Molecular Properties

Compound NameN-butyl-4-(ethylaminomethyl)-N-methylaniline
PubChem CID43280719
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-butyl-4-(ethylaminomethyl)-N-methylaniline
SMILESCCCCN(C)c1ccc(CNCC)cc1
InChIInChI=1S/C14H24N2/c1-4-6-11-16(3)14-9-7-13(8-10-14)12-15-5-2/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyFSTBMAFLUHLRHD-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N,4-dibutyl-N-methylaniline
CID 118183375
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
CID 114243255
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434760
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
N,N-dibutyl-4-(butylaminomethyl)aniline
CID 134517429
N-butyl-N,4-dimethylaniline;ethane
CID 176937760

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(ethylaminomethyl)-N-methylaniline?
The IUPAC name of N-butyl-4-(ethylaminomethyl)-N-methylaniline (CID 43280719) is N-butyl-4-(ethylaminomethyl)-N-methylaniline.
What is the SMILES notation for N-butyl-4-(ethylaminomethyl)-N-methylaniline?
The canonical SMILES for N-butyl-4-(ethylaminomethyl)-N-methylaniline is CCCCN(C)c1ccc(CNCC)cc1.
What is the InChIKey of N-butyl-4-(ethylaminomethyl)-N-methylaniline?
The InChIKey is FSTBMAFLUHLRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-11-16(3)14-9-7-13(8-10-14)12-15-5-2/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of N-butyl-4-(ethylaminomethyl)-N-methylaniline?
N-butyl-4-(ethylaminomethyl)-N-methylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(ethylaminomethyl)-N-methylaniline is sourced from PubChem (CID 43280719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).