N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline

C15H18N2O — CID 63204829

IUPACN-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
SMILESc1cc(NCc2ccoc2)cc(N2CCCC2)c1
InChIInChI=1S/C15H18N2O/c1-2-8-17(7-1)15-5-3-4-14(10-15)16-11-13-6-9-18-12-13/h3-6,9-10,12,16H,1-2,7-8,11H2
InChIKeyAAUFCRJVLDCHDP-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.49
Rot. Bonds4

About N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline

N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline (PubChem CID 63204829) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
PubChem CID63204829
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
SMILESc1cc(NCc2ccoc2)cc(N2CCCC2)c1
InChIInChI=1S/C15H18N2O/c1-2-8-17(7-1)15-5-3-4-14(10-15)16-11-13-6-9-18-12-13/h3-6,9-10,12,16H,1-2,7-8,11H2
InChIKeyAAUFCRJVLDCHDP-UHFFFAOYSA-N
XLogP3.49
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943060
2-bromo-4-[(3-pyrrolidin-1-ylanilino)methyl]phenol
CID 63047265
4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
N-[(4-bromo-3-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 66472010
N-(furan-3-ylmethyl)aniline
CID 18938795
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743993
3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43762165
3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169274
N-(furan-3-ylmethyl)-3-methylsulfinylaniline
CID 115744099
N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 62747482

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline (CID 63204829) is N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline is c1cc(NCc2ccoc2)cc(N2CCCC2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline?
The InChIKey is AAUFCRJVLDCHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-8-17(7-1)15-5-3-4-14(10-15)16-11-13-6-9-18-12-13/h3-6,9-10,12,16H,1-2,7-8,11H2.
What are the key properties of N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline?
N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline has a molecular weight of 242.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 63204829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).