2-[1-(butan-2-ylamino)ethyl]aniline

C12H20N2 — CID 79688173

IUPAC2-[1-(butan-2-ylamino)ethyl]aniline
SMILESCCC(C)NC(C)c1ccccc1N
InChIInChI=1S/C12H20N2/c1-4-9(2)14-10(3)11-7-5-6-8-12(11)13/h5-10,14H,4,13H2,1-3H3
InChIKeyKQNKUIHXSWTHLP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.72
Rot. Bonds4

About 2-[1-(butan-2-ylamino)ethyl]aniline

2-[1-(butan-2-ylamino)ethyl]aniline (PubChem CID 79688173) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[1-(butan-2-ylamino)ethyl]aniline.

Molecular Properties

Compound Name2-[1-(butan-2-ylamino)ethyl]aniline
PubChem CID79688173
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[1-(butan-2-ylamino)ethyl]aniline
SMILESCCC(C)NC(C)c1ccccc1N
InChIInChI=1S/C12H20N2/c1-4-9(2)14-10(3)11-7-5-6-8-12(11)13/h5-10,14H,4,13H2,1-3H3
InChIKeyKQNKUIHXSWTHLP-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
CID 100556071
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine
CID 142938828
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
2-[1-(4-ethylsulfonylanilino)ethyl]aniline
CID 60869841
N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
CID 43298052
2-(1-trimethylsilylethyl)aniline
CID 11052509
1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579
N-[1-(2-aminophenyl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 55152929
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
2-(1-aminopropan-2-yl)aniline;dihydrochloride
CID 131857142

Frequently Asked Questions

What is the IUPAC name of 2-[1-(butan-2-ylamino)ethyl]aniline?
The IUPAC name of 2-[1-(butan-2-ylamino)ethyl]aniline (CID 79688173) is 2-[1-(butan-2-ylamino)ethyl]aniline.
What is the SMILES notation for 2-[1-(butan-2-ylamino)ethyl]aniline?
The canonical SMILES for 2-[1-(butan-2-ylamino)ethyl]aniline is CCC(C)NC(C)c1ccccc1N.
What is the InChIKey of 2-[1-(butan-2-ylamino)ethyl]aniline?
The InChIKey is KQNKUIHXSWTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-9(2)14-10(3)11-7-5-6-8-12(11)13/h5-10,14H,4,13H2,1-3H3.
What are the key properties of 2-[1-(butan-2-ylamino)ethyl]aniline?
2-[1-(butan-2-ylamino)ethyl]aniline has a molecular weight of 192.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(butan-2-ylamino)ethyl]aniline is sourced from PubChem (CID 79688173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).