N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline

C15H26N2 — CID 62121015

IUPACN-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
SMILESCCNCc1ccc(N(C)C(C)CC)c(C)c1
InChIInChI=1S/C15H26N2/c1-6-13(4)17(5)15-9-8-14(10-12(15)3)11-16-7-2/h8-10,13,16H,6-7,11H2,1-5H3
InChIKeyLYMHXURMRHOCGY-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.34
Rot. Bonds6

About N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline

N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline (PubChem CID 62121015) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline.

Molecular Properties

Compound NameN-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
PubChem CID62121015
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
SMILESCCNCc1ccc(N(C)C(C)CC)c(C)c1
InChIInChI=1S/C15H26N2/c1-6-13(4)17(5)15-9-8-14(10-12(15)3)11-16-7-2/h8-10,13,16H,6-7,11H2,1-5H3
InChIKeyLYMHXURMRHOCGY-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

2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953
N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
CID 62119982
N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112662365
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 63069765
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
CID 55040171
4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
CID 115890541
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline?
The IUPAC name of N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline (CID 62121015) is N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline.
What is the SMILES notation for N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline?
The canonical SMILES for N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline is CCNCc1ccc(N(C)C(C)CC)c(C)c1.
What is the InChIKey of N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline?
The InChIKey is LYMHXURMRHOCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-13(4)17(5)15-9-8-14(10-12(15)3)11-16-7-2/h8-10,13,16H,6-7,11H2,1-5H3.
What are the key properties of N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline?
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline 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-4-(ethylaminomethyl)-N,2-dimethylaniline is sourced from PubChem (CID 62121015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).