4-butan-2-yl-2,6-diethylaniline

C14H23N — CID 12905471

IUPAC4-butan-2-yl-2,6-diethylaniline
SMILESCCc1cc(C(C)CC)cc(CC)c1N
InChIInChI=1S/C14H23N/c1-5-10(4)13-8-11(6-2)14(15)12(7-3)9-13/h8-10H,5-7,15H2,1-4H3
InChIKeyRIRVGZJARZUQJU-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.91
Rot. Bonds4

About 4-butan-2-yl-2,6-diethylaniline

4-butan-2-yl-2,6-diethylaniline (PubChem CID 12905471) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-butan-2-yl-2,6-diethylaniline.

Molecular Properties

Compound Name4-butan-2-yl-2,6-diethylaniline
PubChem CID12905471
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-butan-2-yl-2,6-diethylaniline
SMILESCCc1cc(C(C)CC)cc(CC)c1N
InChIInChI=1S/C14H23N/c1-5-10(4)13-8-11(6-2)14(15)12(7-3)9-13/h8-10H,5-7,15H2,1-4H3
InChIKeyRIRVGZJARZUQJU-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-2,6-di(propan-2-yl)aniline
CID 58701369
(1S)-1-(4-amino-3,5-diethylphenyl)ethane-1,2-diamine
CID 66517168
5-butan-2-yl-3-methylbenzene-1,2-diamine
CID 163588283
2,6-diethylbenzene-1,4-diamine
CID 10154207
5-[bis(4-amino-3,5-diethylphenyl)methyl]-2,4,6-triethylbenzene-1,3-diamine
CID 87865367
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
4-chloro-2,6-diethylaniline
CID 14348967
1,3-dibromo-5-butan-2-ylbenzene
CID 54340883
4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
CID 137047505
4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline
CID 175551301
4-[[4-amino-3,5-di(butan-2-yl)phenyl]methyl]-2,6-di(butan-2-yl)aniline
CID 18538234
2-(aminomethyl)-4-butan-2-ylphenol;hydrochloride
CID 21430763

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,6-diethylaniline?
The IUPAC name of 4-butan-2-yl-2,6-diethylaniline (CID 12905471) is 4-butan-2-yl-2,6-diethylaniline.
What is the SMILES notation for 4-butan-2-yl-2,6-diethylaniline?
The canonical SMILES for 4-butan-2-yl-2,6-diethylaniline is CCc1cc(C(C)CC)cc(CC)c1N.
What is the InChIKey of 4-butan-2-yl-2,6-diethylaniline?
The InChIKey is RIRVGZJARZUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-10(4)13-8-11(6-2)14(15)12(7-3)9-13/h8-10H,5-7,15H2,1-4H3.
What are the key properties of 4-butan-2-yl-2,6-diethylaniline?
4-butan-2-yl-2,6-diethylaniline has a molecular weight of 205.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,6-diethylaniline is sourced from PubChem (CID 12905471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).