2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline

C12H14ClF3N2 — CID 17389755

IUPAC2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCC2CCCN2)c1
InChIInChI=1S/C12H14ClF3N2/c13-10-4-3-8(12(14,15)16)6-11(10)18-7-9-2-1-5-17-9/h3-4,6,9,17-18H,1-2,5,7H2
InChIKeyRKXSUNILEHMVLP-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.52
Rot. Bonds3

About 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline

2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline (PubChem CID 17389755) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline
PubChem CID17389755
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC Name2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCC2CCCN2)c1
InChIInChI=1S/C12H14ClF3N2/c13-10-4-3-8(12(14,15)16)6-11(10)18-7-9-2-1-5-17-9/h3-4,6,9,17-18H,1-2,5,7H2
InChIKeyRKXSUNILEHMVLP-UHFFFAOYSA-N
XLogP3.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
CID 65460311
4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 103693086
4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053482
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethylamino)phenol
CID 115047766
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119974473
4-(difluoromethyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053274
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
2-bromo-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708929
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
CID 117364506

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline (CID 17389755) is 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Cl)c(NCC2CCCN2)c1.
What is the InChIKey of 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline?
The InChIKey is RKXSUNILEHMVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-10-4-3-8(12(14,15)16)6-11(10)18-7-9-2-1-5-17-9/h3-4,6,9,17-18H,1-2,5,7H2.
What are the key properties of 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline?
2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline has a molecular weight of 278.70 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 17389755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).