4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline

C15H26N2 — CID 43572395

IUPAC4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1ccc(CNCC)cc1
InChIInChI=1S/C15H26N2/c1-5-7-13(3)17(4)15-10-8-14(9-11-15)12-16-6-2/h8-11,13,16H,5-7,12H2,1-4H3
InChIKeyYMDNTXFRKGYIOJ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.42
Rot. Bonds7

About 4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline

4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline (PubChem CID 43572395) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline
PubChem CID43572395
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1ccc(CNCC)cc1
InChIInChI=1S/C15H26N2/c1-5-7-13(3)17(4)15-10-8-14(9-11-15)12-16-6-2/h8-11,13,16H,5-7,12H2,1-4H3
InChIKeyYMDNTXFRKGYIOJ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 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 ≤ 53.42
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

4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
2-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyridin-4-amine
CID 62283982
N-methyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 43570390
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol
CID 113475937
(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
CID 83131859
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62282594
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
CID 104552910
N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
CID 62134513
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline?
The IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline (CID 43572395) is 4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline.
What is the SMILES notation for 4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline?
The canonical SMILES for 4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline is CCCC(C)N(C)c1ccc(CNCC)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline?
The InChIKey is YMDNTXFRKGYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-7-13(3)17(4)15-10-8-14(9-11-15)12-16-6-2/h8-11,13,16H,5-7,12H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline?
4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.42, 7 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-pentan-2-ylaniline is sourced from PubChem (CID 43572395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).