N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine

C10H16F2N2 — CID 66402051

IUPACN-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccn1C(F)F
InChIInChI=1S/C10H16F2N2/c1-8(2)6-13-7-9-4-3-5-14(9)10(11)12/h3-5,8,10,13H,6-7H2,1-2H3
InChIKeyRDXOEEMKKJROKS-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.63
Rot. Bonds5

About N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66402051) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66402051
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccn1C(F)F
InChIInChI=1S/C10H16F2N2/c1-8(2)6-13-7-9-4-3-5-14(9)10(11)12/h3-5,8,10,13H,6-7H2,1-2H3
InChIKeyRDXOEEMKKJROKS-UHFFFAOYSA-N
XLogP2.63
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403801
N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402047
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402822
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402630
2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66402434
(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 104792951
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764127
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66400862

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine (CID 66402051) is N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RDXOEEMKKJROKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-8(2)6-13-7-9-4-3-5-14(9)10(11)12/h3-5,8,10,13H,6-7H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 202.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66402051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).