N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine

C15H18F2N2 — CID 66443439

IUPACN-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
SMILESCCCn1cccc1CNCc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N2/c1-2-7-19-8-3-4-14(19)11-18-10-12-9-13(16)5-6-15(12)17/h3-6,8-9,18H,2,7,10-11H2,1H3
InChIKeyLFWLHBWEJYLMLQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.47
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine

N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine (PubChem CID 66443439) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
PubChem CID66443439
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
SMILESCCCn1cccc1CNCc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N2/c1-2-7-19-8-3-4-14(19)11-18-10-12-9-13(16)5-6-15(12)17/h3-6,8-9,18H,2,7,10-11H2,1H3
InChIKeyLFWLHBWEJYLMLQ-UHFFFAOYSA-N
XLogP3.47
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine 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-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[1-[(2-chloro-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 102617084
1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63379414
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 66413076
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 114346652
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 82731778

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine (CID 66443439) is N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine is CCCn1cccc1CNCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
The InChIKey is LFWLHBWEJYLMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-2-7-19-8-3-4-14(19)11-18-10-12-9-13(16)5-6-15(12)17/h3-6,8-9,18H,2,7,10-11H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine has a molecular weight of 264.32 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine is sourced from PubChem (CID 66443439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).