N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine

C12H14ClF3N2 — CID 55139659

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H14ClF3N2/c1-18-5-4-9(7-18)17-11-3-2-8(6-10(11)13)12(14,15)16/h2-3,6,9,17H,4-5,7H2,1H3
InChIKeyFDUKLECURMOMGJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.47
Rot. Bonds2

About N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine

N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine (PubChem CID 55139659) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.71 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine
PubChem CID55139659
Molecular FormulaC12H14ClF3N2
Molecular Weight278.71 g/mol
Exact Mass278.08
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H14ClF3N2/c1-18-5-4-9(7-18)17-11-3-2-8(6-10(11)13)12(14,15)16/h2-3,6,9,17H,4-5,7H2,1H3
InChIKeyFDUKLECURMOMGJ-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43714555
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
CID 43714560
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083806
N-(2-fluoro-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 62976143
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43307432

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine (CID 55139659) is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine is CN1CCC(Nc2ccc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine?
The InChIKey is FDUKLECURMOMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c1-18-5-4-9(7-18)17-11-3-2-8(6-10(11)13)12(14,15)16/h2-3,6,9,17H,4-5,7H2,1H3.
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine?
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine has a molecular weight of 278.71 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 55139659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).