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

C15H17ClN2O — CID 60780218

IUPACN-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESClc1ccc(CNc2ccccc2N2CCCC2)o1
InChIInChI=1S/C15H17ClN2O/c16-15-8-7-12(19-15)11-17-13-5-1-2-6-14(13)18-9-3-4-10-18/h1-2,5-8,17H,3-4,9-11H2
InChIKeyJCZXVNLGKJUIIC-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.15
Rot. Bonds4

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

N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline (PubChem CID 60780218) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline
PubChem CID60780218
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline
SMILESClc1ccc(CNc2ccccc2N2CCCC2)o1
InChIInChI=1S/C15H17ClN2O/c16-15-8-7-12(19-15)11-17-13-5-1-2-6-14(13)18-9-3-4-10-18/h1-2,5-8,17H,3-4,9-11H2
InChIKeyJCZXVNLGKJUIIC-UHFFFAOYSA-N
XLogP4.15
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 60780238
[5-[(2-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64580535
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408273
2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine
CID 66385103
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
4-[(2-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 43231332
N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
CID 29032842

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline (CID 60780218) is N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline is Clc1ccc(CNc2ccccc2N2CCCC2)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline?
The InChIKey is JCZXVNLGKJUIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-15-8-7-12(19-15)11-17-13-5-1-2-6-14(13)18-9-3-4-10-18/h1-2,5-8,17H,3-4,9-11H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline?
N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline has a molecular weight of 276.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 60780218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).