4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline

C14H24N2 — CID 43281928

IUPAC4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
SMILESCCNCc1ccc(N(C)CC(C)C)cc1
InChIInChI=1S/C14H24N2/c1-5-15-10-13-6-8-14(9-7-13)16(4)11-12(2)3/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyVRMKBVKGXIADCS-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.89
Rot. Bonds6

About 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline

4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline (PubChem CID 43281928) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
PubChem CID43281928
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
SMILESCCNCc1ccc(N(C)CC(C)C)cc1
InChIInChI=1S/C14H24N2/c1-5-15-10-13-6-8-14(9-7-13)16(4)11-12(2)3/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyVRMKBVKGXIADCS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 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 ≤ 52.89
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-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline
CID 43281929
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline
CID 43572395
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79490766
2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol
CID 113475937
4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 63782370
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
CID 114243255
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
CID 43281999

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline (CID 43281928) is 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline is CCNCc1ccc(N(C)CC(C)C)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline?
The InChIKey is VRMKBVKGXIADCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-15-10-13-6-8-14(9-7-13)16(4)11-12(2)3/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline?
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline has a molecular weight of 220.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 43281928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).