N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline

C15H26N2 — CID 62121532

IUPACN-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
SMILESCCC(C)N(CC)c1ccc(CNC)cc1C
InChIInChI=1S/C15H26N2/c1-6-13(4)17(7-2)15-9-8-14(11-16-5)10-12(15)3/h8-10,13,16H,6-7,11H2,1-5H3
InChIKeyGBBZHLMIGFPWLV-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.34
Rot. Bonds6

About N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline

N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline (PubChem CID 62121532) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
PubChem CID62121532
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
SMILESCCC(C)N(CC)c1ccc(CNC)cc1C
InChIInChI=1S/C15H26N2/c1-6-13(4)17(7-2)15-9-8-14(11-16-5)10-12(15)3/h8-10,13,16H,6-7,11H2,1-5H3
InChIKeyGBBZHLMIGFPWLV-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 60930401
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 63785303
N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
CID 62119982
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112662365
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 62122949
N-butan-2-yl-N-butyl-2-fluoro-4-(methylaminomethyl)aniline
CID 55005435
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
CID 62122948
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
N-butan-2-yl-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148692
4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
CID 115890541
N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline
CID 62122777

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline?
The IUPAC name of N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline (CID 62121532) is N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline?
The canonical SMILES for N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline is CCC(C)N(CC)c1ccc(CNC)cc1C.
What is the InChIKey of N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline?
The InChIKey is GBBZHLMIGFPWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-13(4)17(7-2)15-9-8-14(11-16-5)10-12(15)3/h8-10,13,16H,6-7,11H2,1-5H3.
What are the key properties of N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline?
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline has a molecular weight of 234.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 62121532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).