2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

C13H18ClFN2 — CID 107527335

IUPAC2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H18ClFN2/c1-9(7-11-3-2-6-16-11)17-13-8-10(15)4-5-12(13)14/h4-5,8-9,11,16-17H,2-3,6-7H2,1H3
InChIKeyTUJGZPPVRIMZCM-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 107527335) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID107527335
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H18ClFN2/c1-9(7-11-3-2-6-16-11)17-13-8-10(15)4-5-12(13)14/h4-5,8-9,11,16-17H,2-3,6-7H2,1H3
InChIKeyTUJGZPPVRIMZCM-UHFFFAOYSA-N
XLogP3.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide
CID 79537742
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
CID 79560372
2-chloro-5-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 79541140
4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79535891
5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537185
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline
CID 107364392
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 107527335) is 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is CC(CC1CCCN1)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is TUJGZPPVRIMZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9(7-11-3-2-6-16-11)17-13-8-10(15)4-5-12(13)14/h4-5,8-9,11,16-17H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline has a molecular weight of 256.75 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 107527335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).