5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline

C18H21FN2 — CID 43764091

IUPAC5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESCc1ccc(F)cc1NCc1ccccc1N1CCCC1
InChIInChI=1S/C18H21FN2/c1-14-8-9-16(19)12-17(14)20-13-15-6-2-3-7-18(15)21-10-4-5-11-21/h2-3,6-9,12,20H,4-5,10-11,13H2,1H3
InChIKeyICIVXBSPYCRUNG-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.35
Rot. Bonds4

About 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline

5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline (PubChem CID 43764091) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
PubChem CID43764091
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESCc1ccc(F)cc1NCc1ccccc1N1CCCC1
InChIInChI=1S/C18H21FN2/c1-14-8-9-16(19)12-17(14)20-13-15-6-2-3-7-18(15)21-10-4-5-11-21/h2-3,6-9,12,20H,4-5,10-11,13H2,1H3
InChIKeyICIVXBSPYCRUNG-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline 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-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43772755
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43758691
3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide
CID 133439673
2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
CID 112606277
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzonitrile
CID 43762376
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
CID 29032842
3-fluoro-2-nitro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 133439770

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline (CID 43764091) is 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline is Cc1ccc(F)cc1NCc1ccccc1N1CCCC1.
What is the InChIKey of 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
The InChIKey is ICIVXBSPYCRUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-14-8-9-16(19)12-17(14)20-13-15-6-2-3-7-18(15)21-10-4-5-11-21/h2-3,6-9,12,20H,4-5,10-11,13H2,1H3.
What are the key properties of 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline has a molecular weight of 284.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 43764091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).