3-[[ethyl(2-methylpropyl)amino]methyl]aniline

C13H22N2 — CID 43273295

IUPAC3-[[ethyl(2-methylpropyl)amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)CC(C)C
InChIInChI=1S/C13H22N2/c1-4-15(9-11(2)3)10-12-6-5-7-13(14)8-12/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyTUWQBKRUEMSPNS-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.75
Rot. Bonds5

About 3-[[ethyl(2-methylpropyl)amino]methyl]aniline

3-[[ethyl(2-methylpropyl)amino]methyl]aniline (PubChem CID 43273295) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-[[ethyl(2-methylpropyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[ethyl(2-methylpropyl)amino]methyl]aniline
PubChem CID43273295
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-[[ethyl(2-methylpropyl)amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)CC(C)C
InChIInChI=1S/C13H22N2/c1-4-15(9-11(2)3)10-12-6-5-7-13(14)8-12/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyTUWQBKRUEMSPNS-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.75
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

3-[[ethyl(4-methylpentyl)amino]methyl]aniline
CID 83157449
3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline
CID 106453553
3-[[ethyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 43273731
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459091
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
3-[[2-methylpentyl(propyl)amino]methyl]aniline
CID 62265016
N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65347754
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline
CID 115341887

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-methylpropyl)amino]methyl]aniline?
The IUPAC name of 3-[[ethyl(2-methylpropyl)amino]methyl]aniline (CID 43273295) is 3-[[ethyl(2-methylpropyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[ethyl(2-methylpropyl)amino]methyl]aniline?
The canonical SMILES for 3-[[ethyl(2-methylpropyl)amino]methyl]aniline is CCN(Cc1cccc(N)c1)CC(C)C.
What is the InChIKey of 3-[[ethyl(2-methylpropyl)amino]methyl]aniline?
The InChIKey is TUWQBKRUEMSPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(9-11(2)3)10-12-6-5-7-13(14)8-12/h5-8,11H,4,9-10,14H2,1-3H3.
What are the key properties of 3-[[ethyl(2-methylpropyl)amino]methyl]aniline?
3-[[ethyl(2-methylpropyl)amino]methyl]aniline has a molecular weight of 206.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-methylpropyl)amino]methyl]aniline is sourced from PubChem (CID 43273295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).