2-propan-2-ylaniline;2-propan-2-ylfuran

C16H23NO — CID 158742039

IUPAC2-propan-2-ylaniline;2-propan-2-ylfuran
SMILESCC(C)c1ccccc1N.CC(C)c1ccco1
InChIInChI=1S/C9H13N.C7H10O/c1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-4-3-5-8-7/h3-7H,10H2,1-2H3;3-6H,1-2H3
InChIKeyIMKLCYHKXABMNN-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.80
Rot. Bonds2

About 2-propan-2-ylaniline;2-propan-2-ylfuran

2-propan-2-ylaniline;2-propan-2-ylfuran (PubChem CID 158742039) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-propan-2-ylaniline;2-propan-2-ylfuran.

Molecular Properties

Compound Name2-propan-2-ylaniline;2-propan-2-ylfuran
PubChem CID158742039
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-propan-2-ylaniline;2-propan-2-ylfuran
SMILESCC(C)c1ccccc1N.CC(C)c1ccco1
InChIInChI=1S/C9H13N.C7H10O/c1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-4-3-5-8-7/h3-7H,10H2,1-2H3;3-6H,1-2H3
InChIKeyIMKLCYHKXABMNN-UHFFFAOYSA-N
XLogP4.80
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.80
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-propan-2-ylphenyl)furan
CID 23404422
2-(1-trimethylsilylethyl)aniline
CID 11052509
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CID 12749796
2-(2-aminophenyl)propanenitrile
CID 20509311
2-[1-(2-chlorophenyl)ethyl]furan
CID 21387745
ethane;2-propan-2-ylfuran;3-propan-2-ylfuran
CID 157401311
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
(2S,3S)-3-(2-aminophenyl)butan-2-ol
CID 131028904
2-(furan-2-yl)propanethial
CID 54309432
(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712
2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550104
2-[2-propan-2-yl-6-(2-propan-2-ylphenyl)phenyl]furan
CID 101485529

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylaniline;2-propan-2-ylfuran?
The IUPAC name of 2-propan-2-ylaniline;2-propan-2-ylfuran (CID 158742039) is 2-propan-2-ylaniline;2-propan-2-ylfuran.
What is the SMILES notation for 2-propan-2-ylaniline;2-propan-2-ylfuran?
The canonical SMILES for 2-propan-2-ylaniline;2-propan-2-ylfuran is CC(C)c1ccccc1N.CC(C)c1ccco1.
What is the InChIKey of 2-propan-2-ylaniline;2-propan-2-ylfuran?
The InChIKey is IMKLCYHKXABMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C7H10O/c1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-4-3-5-8-7/h3-7H,10H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2-propan-2-ylaniline;2-propan-2-ylfuran?
2-propan-2-ylaniline;2-propan-2-ylfuran has a molecular weight of 245.37 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylaniline;2-propan-2-ylfuran is sourced from PubChem (CID 158742039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).