N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline

C18H24N2O — CID 60942943

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
SMILESCc1cc(C(C)Nc2cccc(N3CCCC3)c2)c(C)o1
InChIInChI=1S/C18H24N2O/c1-13-11-18(15(3)21-13)14(2)19-16-7-6-8-17(12-16)20-9-4-5-10-20/h6-8,11-12,14,19H,4-5,9-10H2,1-3H3
InChIKeyUAHJBMLZFPZJRR-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.67
Rot. Bonds4

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline (PubChem CID 60942943) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
PubChem CID60942943
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
SMILESCc1cc(C(C)Nc2cccc(N3CCCC3)c2)c(C)o1
InChIInChI=1S/C18H24N2O/c1-13-11-18(15(3)21-13)14(2)19-16-7-6-8-17(12-16)20-9-4-5-10-20/h6-8,11-12,14,19H,4-5,9-10H2,1-3H3
InChIKeyUAHJBMLZFPZJRR-UHFFFAOYSA-N
XLogP4.67
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol
CID 60943568
N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 54863773
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
CID 95130030
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 106757576
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943708
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
N-[1-(3-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943943
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
ethyl 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzoate
CID 43321920
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
CID 54864439

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline (CID 60942943) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline is Cc1cc(C(C)Nc2cccc(N3CCCC3)c2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The InChIKey is UAHJBMLZFPZJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-11-18(15(3)21-13)14(2)19-16-7-6-8-17(12-16)20-9-4-5-10-20/h6-8,11-12,14,19H,4-5,9-10H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline has a molecular weight of 284.40 g/mol, XLogP of 4.67, 4 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]-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 60942943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).