1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine

C14H16F2N2 — CID 82919683

IUPAC1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine
SMILESCNC(C)c1ccn(Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H16F2N2/c1-10(17-2)12-5-6-18(9-12)8-11-3-4-13(15)14(16)7-11/h3-7,9-10,17H,8H2,1-2H3
InChIKeyUSTVFVBELXXHPB-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.10
Rot. Bonds4

About 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine

1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine (PubChem CID 82919683) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine
PubChem CID82919683
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine
SMILESCNC(C)c1ccn(Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H16F2N2/c1-10(17-2)12-5-6-18(9-12)8-11-3-4-13(15)14(16)7-11/h3-7,9-10,17H,8H2,1-2H3
InChIKeyUSTVFVBELXXHPB-UHFFFAOYSA-N
XLogP3.10
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine 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

1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 68771527
4-fluoro-3-[[3-[1-(methylamino)ethyl]pyrrol-1-yl]methyl]benzonitrile
CID 79099324
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 107883348
N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
CID 79099719
1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]ethanone
CID 82919579
1-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79098431
2-fluoro-5-[[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]methyl]benzonitrile
CID 107883246
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109370
N-[1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099452
2-fluoro-5-[[3-(methylaminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 107883313
2-fluoro-5-[[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 107883319
N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 82920458

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine (CID 82919683) is 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine is CNC(C)c1ccn(Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine?
The InChIKey is USTVFVBELXXHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-10(17-2)12-5-6-18(9-12)8-11-3-4-13(15)14(16)7-11/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine?
1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine has a molecular weight of 250.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine is sourced from PubChem (CID 82919683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).