N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine

C16H23NO2 — CID 43121413

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1cc(C(C)NC(C)CCc2ccco2)c(C)o1
InChIInChI=1S/C16H23NO2/c1-11(7-8-15-6-5-9-18-15)17-13(3)16-10-12(2)19-14(16)4/h5-6,9-11,13,17H,7-8H2,1-4H3
InChIKeyRZEPWPVVEJOYJB-UHFFFAOYSA-N
MW261.36 g/mol
LogP4.16
Rot. Bonds6

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43121413) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
PubChem CID43121413
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1cc(C(C)NC(C)CCc2ccco2)c(C)o1
InChIInChI=1S/C16H23NO2/c1-11(7-8-15-6-5-9-18-15)17-13(3)16-10-12(2)19-14(16)4/h5-6,9-11,13,17H,7-8H2,1-4H3
InChIKeyRZEPWPVVEJOYJB-UHFFFAOYSA-N
XLogP4.16
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
4-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]benzene-1,3-diol
CID 43205361
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
CID 43205399
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81381164

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine (CID 43121413) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine is Cc1cc(C(C)NC(C)CCc2ccco2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is RZEPWPVVEJOYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(7-8-15-6-5-9-18-15)17-13(3)16-10-12(2)19-14(16)4/h5-6,9-11,13,17H,7-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 261.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43121413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).