N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline

C16H19FN2O — CID 62436053

IUPACN-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1cc(CNC2CC2)co1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-19(15-6-2-13(17)3-7-15)10-16-8-12(11-20-16)9-18-14-4-5-14/h2-3,6-8,11,14,18H,4-5,9-10H2,1H3
InChIKeyOULQPEPAHWHQOS-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.31
Rot. Bonds6

About N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline

N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline (PubChem CID 62436053) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline
PubChem CID62436053
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1cc(CNC2CC2)co1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-19(15-6-2-13(17)3-7-15)10-16-8-12(11-20-16)9-18-14-4-5-14/h2-3,6-8,11,14,18H,4-5,9-10H2,1H3
InChIKeyOULQPEPAHWHQOS-UHFFFAOYSA-N
XLogP3.31
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline
CID 62438694
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423916
N-[[5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411812
N-[[5-[[2,2-dimethylpropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462274
N-[[5-[(dipropylamino)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62438391
N-[[5-[[bis(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62426609
4-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylpyridin-2-amine
CID 62292831
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 81067967
1-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432280
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 79490038
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline (CID 62436053) is N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline is CN(Cc1cc(CNC2CC2)co1)c1ccc(F)cc1.
What is the InChIKey of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline?
The InChIKey is OULQPEPAHWHQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(15-6-2-13(17)3-7-15)10-16-8-12(11-20-16)9-18-14-4-5-14/h2-3,6-8,11,14,18H,4-5,9-10H2,1H3.
What are the key properties of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline?
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline has a molecular weight of 274.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 62436053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).