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

C16H20F2N2 — CID 66402047

IUPACN-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccn1Cc1cccc(F)c1F
InChIInChI=1S/C16H20F2N2/c1-12(2)9-19-10-14-6-4-8-20(14)11-13-5-3-7-15(17)16(13)18/h3-8,12,19H,9-11H2,1-2H3
InChIKeyPLGXGAOLKSSOHO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.56
Rot. Bonds6

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

N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66402047) has the molecular formula C16H20F2N2 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66402047
Molecular FormulaC16H20F2N2
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccn1Cc1cccc(F)c1F
InChIInChI=1S/C16H20F2N2/c1-12(2)9-19-10-14-6-4-8-20(14)11-13-5-3-7-15(17)16(13)18/h3-8,12,19H,9-11H2,1-2H3
InChIKeyPLGXGAOLKSSOHO-UHFFFAOYSA-N
XLogP3.56
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 104792951
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402822
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403801
2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66402434
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402630
N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402051
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66400862
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine (CID 66402047) is N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccn1Cc1cccc(F)c1F.
What is the InChIKey of N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is PLGXGAOLKSSOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2/c1-12(2)9-19-10-14-6-4-8-20(14)11-13-5-3-7-15(17)16(13)18/h3-8,12,19H,9-11H2,1-2H3.
What are the key properties of N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66402047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).