N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline

C17H23NO — CID 43478896

IUPACN-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
SMILESCCCc1ccc(NC(C)CCc2ccco2)cc1
InChIInChI=1S/C17H23NO/c1-3-5-15-8-10-16(11-9-15)18-14(2)7-12-17-6-4-13-19-17/h4,6,8-11,13-14,18H,3,5,7,12H2,1-2H3
InChIKeyLBMUFOFICDUZFA-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.67
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline

N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline (PubChem CID 43478896) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
PubChem CID43478896
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
SMILESCCCc1ccc(NC(C)CCc2ccco2)cc1
InChIInChI=1S/C17H23NO/c1-3-5-15-8-10-16(11-9-15)18-14(2)7-12-17-6-4-13-19-17/h4,6,8-11,13-14,18H,3,5,7,12H2,1-2H3
InChIKeyLBMUFOFICDUZFA-UHFFFAOYSA-N
XLogP4.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
1-(4-butylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
CID 9234141
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225
3-(furan-2-yl)-1-(4-propylphenyl)propan-1-ol
CID 105095239
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 60980334
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
N-(5,5-dimethylhexan-2-yl)-4-propylaniline
CID 114279897
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline (CID 43478896) is N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline is CCCc1ccc(NC(C)CCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline?
The InChIKey is LBMUFOFICDUZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-5-15-8-10-16(11-9-15)18-14(2)7-12-17-6-4-13-19-17/h4,6,8-11,13-14,18H,3,5,7,12H2,1-2H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline?
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline has a molecular weight of 257.38 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline is sourced from PubChem (CID 43478896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).