3-[2-(2-methylbutylamino)ethyl]aniline

C13H22N2 — CID 65347855

IUPAC3-[2-(2-methylbutylamino)ethyl]aniline
SMILESCCC(C)CNCCc1cccc(N)c1
InChIInChI=1S/C13H22N2/c1-3-11(2)10-15-8-7-12-5-4-6-13(14)9-12/h4-6,9,11,15H,3,7-8,10,14H2,1-2H3
InChIKeyURRGRELXTNGDHA-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.45
Rot. Bonds6

About 3-[2-(2-methylbutylamino)ethyl]aniline

3-[2-(2-methylbutylamino)ethyl]aniline (PubChem CID 65347855) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-[2-(2-methylbutylamino)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(2-methylbutylamino)ethyl]aniline
PubChem CID65347855
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-[2-(2-methylbutylamino)ethyl]aniline
SMILESCCC(C)CNCCc1cccc(N)c1
InChIInChI=1S/C13H22N2/c1-3-11(2)10-15-8-7-12-5-4-6-13(14)9-12/h4-6,9,11,15H,3,7-8,10,14H2,1-2H3
InChIKeyURRGRELXTNGDHA-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline
CID 82257317
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545559
1-(3-aminophenyl)-5-methylheptan-3-one
CID 116603308
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
3-pentylaniline
CID 19911390
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
3-[3-(hexan-2-ylamino)propyl]aniline
CID 113290671
3-[[2-(3,4-difluorophenyl)ethylamino]methyl]aniline
CID 115211983
3-docosylaniline
CID 139654071
3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 65350320

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylbutylamino)ethyl]aniline?
The IUPAC name of 3-[2-(2-methylbutylamino)ethyl]aniline (CID 65347855) is 3-[2-(2-methylbutylamino)ethyl]aniline.
What is the SMILES notation for 3-[2-(2-methylbutylamino)ethyl]aniline?
The canonical SMILES for 3-[2-(2-methylbutylamino)ethyl]aniline is CCC(C)CNCCc1cccc(N)c1.
What is the InChIKey of 3-[2-(2-methylbutylamino)ethyl]aniline?
The InChIKey is URRGRELXTNGDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-11(2)10-15-8-7-12-5-4-6-13(14)9-12/h4-6,9,11,15H,3,7-8,10,14H2,1-2H3.
What are the key properties of 3-[2-(2-methylbutylamino)ethyl]aniline?
3-[2-(2-methylbutylamino)ethyl]aniline has a molecular weight of 206.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylbutylamino)ethyl]aniline is sourced from PubChem (CID 65347855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).