2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline

C13H19FN2 — CID 107911386

IUPAC2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCc1ccc(F)c(NCCN2CCCC2)c1
InChIInChI=1S/C13H19FN2/c1-11-4-5-12(14)13(10-11)15-6-9-16-7-2-3-8-16/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyPFFMDPZUGVLINM-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.64
Rot. Bonds4

About 2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline

2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 107911386) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID107911386
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCc1ccc(F)c(NCCN2CCCC2)c1
InChIInChI=1S/C13H19FN2/c1-11-4-5-12(14)13(10-11)15-6-9-16-7-2-3-8-16/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyPFFMDPZUGVLINM-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 61242311
N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
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3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82079424
2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47031499
N-(3,3-dimethylbutyl)-2-fluoro-5-methylaniline
CID 60679773
N-butyl-2-fluoro-5-methylaniline
CID 28877664
2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54807933
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)aniline
CID 82886090
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
CID 54806085
3-bromo-4-fluoro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911912
2-bromo-4-methyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960857

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline (CID 107911386) is 2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline is Cc1ccc(F)c(NCCN2CCCC2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is PFFMDPZUGVLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-11-4-5-12(14)13(10-11)15-6-9-16-7-2-3-8-16/h4-5,10,15H,2-3,6-9H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline?
2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 222.31 g/mol, XLogP of 2.64, 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-ylethyl)aniline is sourced from PubChem (CID 107911386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).