N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline

C17H22N2O — CID 62347242

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
SMILESCCc1ccc(CNc2ccc(N3CCCC3)cc2)o1
InChIInChI=1S/C17H22N2O/c1-2-16-9-10-17(20-16)13-18-14-5-7-15(8-6-14)19-11-3-4-12-19/h5-10,18H,2-4,11-13H2,1H3
InChIKeyDPVOFYMDWISEOL-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.05
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline

N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline (PubChem CID 62347242) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
PubChem CID62347242
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
SMILESCCc1ccc(CNc2ccc(N3CCCC3)cc2)o1
InChIInChI=1S/C17H22N2O/c1-2-16-9-10-17(20-16)13-18-14-5-7-15(8-6-14)19-11-3-4-12-19/h5-10,18H,2-4,11-13H2,1H3
InChIKeyDPVOFYMDWISEOL-UHFFFAOYSA-N
XLogP4.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 62344548
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64578214
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 62345471
N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline
CID 62345235
3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one
CID 62345288
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 63179959
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline
CID 66414741
4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
CID 155533033
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline (CID 62347242) is N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline is CCc1ccc(CNc2ccc(N3CCCC3)cc2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline?
The InChIKey is DPVOFYMDWISEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-16-9-10-17(20-16)13-18-14-5-7-15(8-6-14)19-11-3-4-12-19/h5-10,18H,2-4,11-13H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline?
N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline has a molecular weight of 270.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 62347242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).