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

C18H21FN2 — CID 43772755

IUPAC2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESCc1ccc(F)c(NCc2ccccc2N2CCCC2)c1
InChIInChI=1S/C18H21FN2/c1-14-8-9-16(19)17(12-14)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
InChIKeyKWSUNRKDXNCWAS-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.35
Rot. Bonds4

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

2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline (PubChem CID 43772755) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
PubChem CID43772755
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESCc1ccc(F)c(NCc2ccccc2N2CCCC2)c1
InChIInChI=1S/C18H21FN2/c1-14-8-9-16(19)17(12-14)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
InChIKeyKWSUNRKDXNCWAS-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

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Related Compounds

5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43764091
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43758691
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
3-fluoro-2-nitro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 133439770
3-fluoro-N-methyl-4-[(2-piperidin-1-ylphenyl)methylamino]benzenesulfonamide
CID 133439673
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 110011361
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
2-fluoro-5-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
CID 28968124
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911386

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline (CID 43772755) is 2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline is Cc1ccc(F)c(NCc2ccccc2N2CCCC2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
The InChIKey is KWSUNRKDXNCWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-14-8-9-16(19)17(12-14)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 2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline?
2-fluoro-5-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 2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 43772755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).