2-[[ethyl(pentan-2-yl)amino]methyl]aniline

C14H24N2 — CID 107891825

IUPAC2-[[ethyl(pentan-2-yl)amino]methyl]aniline
SMILESCCCC(C)N(CC)Cc1ccccc1N
InChIInChI=1S/C14H24N2/c1-4-8-12(3)16(5-2)11-13-9-6-7-10-14(13)15/h6-7,9-10,12H,4-5,8,11,15H2,1-3H3
InChIKeyWNSQBYDEMCKEMM-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.28
Rot. Bonds6

About 2-[[ethyl(pentan-2-yl)amino]methyl]aniline

2-[[ethyl(pentan-2-yl)amino]methyl]aniline (PubChem CID 107891825) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[[ethyl(pentan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[ethyl(pentan-2-yl)amino]methyl]aniline
PubChem CID107891825
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[[ethyl(pentan-2-yl)amino]methyl]aniline
SMILESCCCC(C)N(CC)Cc1ccccc1N
InChIInChI=1S/C14H24N2/c1-4-8-12(3)16(5-2)11-13-9-6-7-10-14(13)15/h6-7,9-10,12H,4-5,8,11,15H2,1-3H3
InChIKeyWNSQBYDEMCKEMM-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
CID 43459417
4-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891822
2-[(2-aminophenyl)methyl-propylamino]propanamide
CID 43459967
N-[(2-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460402
2-[3-[methyl(pentan-2-yl)amino]propyl]aniline
CID 107274303
2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid
CID 83041260
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
CID 62265361
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
CID 61490250
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
2-[[propan-2-yl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 54957910
2-[[(4-fluorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460424

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pentan-2-yl)amino]methyl]aniline?
The IUPAC name of 2-[[ethyl(pentan-2-yl)amino]methyl]aniline (CID 107891825) is 2-[[ethyl(pentan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 2-[[ethyl(pentan-2-yl)amino]methyl]aniline?
The canonical SMILES for 2-[[ethyl(pentan-2-yl)amino]methyl]aniline is CCCC(C)N(CC)Cc1ccccc1N.
What is the InChIKey of 2-[[ethyl(pentan-2-yl)amino]methyl]aniline?
The InChIKey is WNSQBYDEMCKEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-8-12(3)16(5-2)11-13-9-6-7-10-14(13)15/h6-7,9-10,12H,4-5,8,11,15H2,1-3H3.
What are the key properties of 2-[[ethyl(pentan-2-yl)amino]methyl]aniline?
2-[[ethyl(pentan-2-yl)amino]methyl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pentan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 107891825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).