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

C12H14ClF3N2 — CID 103693086

IUPAC4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)ccc1NCC1CCCN1
InChIInChI=1S/C12H14ClF3N2/c13-8-3-4-11(10(6-8)12(14,15)16)18-7-9-2-1-5-17-9/h3-4,6,9,17-18H,1-2,5,7H2
InChIKeyPNBIBMNCZSAKON-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.52
Rot. Bonds3

About 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline

4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 103693086) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID103693086
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC Name4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)ccc1NCC1CCCN1
InChIInChI=1S/C12H14ClF3N2/c13-8-3-4-11(10(6-8)12(14,15)16)18-7-9-2-1-5-17-9/h3-4,6,9,17-18H,1-2,5,7H2
InChIKeyPNBIBMNCZSAKON-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

4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053482
4-(difluoromethyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053274
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053481
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline
CID 17389755
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethylamino)phenol
CID 115047766
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638789
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
2,3,5,6-tetrafluoro-N-(pyrrolidin-2-ylmethyl)aniline
CID 107643785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline (CID 103693086) is 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1cc(Cl)ccc1NCC1CCCN1.
What is the InChIKey of 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is PNBIBMNCZSAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-8-3-4-11(10(6-8)12(14,15)16)18-7-9-2-1-5-17-9/h3-4,6,9,17-18H,1-2,5,7H2.
What are the key properties of 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(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 4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 103693086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).