N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine

C15H18F2N2 — CID 114930907

IUPACN-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(Cc2c(F)cccc2F)c1
InChIInChI=1S/C15H18F2N2/c1-11(2)18-8-12-6-7-19(9-12)10-13-14(16)4-3-5-15(13)17/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyYZYILEKBFWHQQD-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.31
Rot. Bonds5

About N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine

N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 114930907) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
PubChem CID114930907
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC NameN-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(Cc2c(F)cccc2F)c1
InChIInChI=1S/C15H18F2N2/c1-11(2)18-8-12-6-7-19(9-12)10-13-14(16)4-3-5-15(13)17/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyYZYILEKBFWHQQD-UHFFFAOYSA-N
XLogP3.31
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405757
2-fluoro-5-[[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 107883319
N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406782
N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 114934975
N-[[1-[(2-nitrophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404333
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405951
N-[[1-[(2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 114934386
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405357
N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404949
(1S)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365165
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404959
N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66405552

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine (CID 114930907) is N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine is CC(C)NCc1ccn(Cc2c(F)cccc2F)c1.
What is the InChIKey of N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is YZYILEKBFWHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-11(2)18-8-12-6-7-19(9-12)10-13-14(16)4-3-5-15(13)17/h3-7,9,11,18H,8,10H2,1-2H3.
What are the key properties of N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 264.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114930907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).