2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline

C15H20ClF3N2 — CID 43307432

IUPAC2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline
SMILESCC(Nc1cc(C(F)(F)F)ccc1Cl)C1CCCN(C)C1
InChIInChI=1S/C15H20ClF3N2/c1-10(11-4-3-7-21(2)9-11)20-14-8-12(15(17,18)19)5-6-13(14)16/h5-6,8,10-11,20H,3-4,7,9H2,1-2H3
InChIKeyHTUTVCPHZVIJAV-UHFFFAOYSA-N
MW320.79 g/mol
LogP4.50
Rot. Bonds3

About 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline

2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline (PubChem CID 43307432) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline
PubChem CID43307432
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline
SMILESCC(Nc1cc(C(F)(F)F)ccc1Cl)C1CCCN(C)C1
InChIInChI=1S/C15H20ClF3N2/c1-10(11-4-3-7-21(2)9-11)20-14-8-12(15(17,18)19)5-6-13(14)16/h5-6,8,10-11,20H,3-4,7,9H2,1-2H3
InChIKeyHTUTVCPHZVIJAV-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888
2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 81263405
2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
CID 43093717
2-chloro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43686795
5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
CID 60927567
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[1-(1-prop-2-enoylpiperidin-3-yl)ethyl]urea
CID 172888242
2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449
N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43690136
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 55139659
2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline (CID 43307432) is 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline is CC(Nc1cc(C(F)(F)F)ccc1Cl)C1CCCN(C)C1.
What is the InChIKey of 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline?
The InChIKey is HTUTVCPHZVIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-10(11-4-3-7-21(2)9-11)20-14-8-12(15(17,18)19)5-6-13(14)16/h5-6,8,10-11,20H,3-4,7,9H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline?
2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline has a molecular weight of 320.79 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 43307432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).