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

C14H18ClF3N2 — CID 60860952

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18ClF3N2/c1-2-6-19-10-5-7-20(9-10)11-3-4-13(15)12(8-11)14(16,17)18/h3-4,8,10,19H,2,5-7,9H2,1H3
InChIKeyLYCLWHLFEIKXRF-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.94
Rot. Bonds4

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine (PubChem CID 60860952) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
PubChem CID60860952
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18ClF3N2/c1-2-6-19-10-5-7-20(9-10)11-3-4-13(15)12(8-11)14(16,17)18/h3-4,8,10,19H,2,5-7,9H2,1H3
InChIKeyLYCLWHLFEIKXRF-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 60860788
1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
CID 107613067
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 64855894
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 63180231
1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine
CID 60860793
1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine
CID 65474122
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687
1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine
CID 60862451
1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine
CID 60861118
1-(4-bromo-3-chlorophenyl)-N-ethylpyrrolidin-3-amine
CID 107613078
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylpyrrolidin-3-amine
CID 60862803

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine (CID 60860952) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine is CCCNC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine?
The InChIKey is LYCLWHLFEIKXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-2-6-19-10-5-7-20(9-10)11-3-4-13(15)12(8-11)14(16,17)18/h3-4,8,10,19H,2,5-7,9H2,1H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine?
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine has a molecular weight of 306.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 60860952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).