N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine

C12H16ClFN2 — CID 115119037

IUPACN-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine
SMILESFc1ccc(CCNC2CCNC2)cc1Cl
InChIInChI=1S/C12H16ClFN2/c13-11-7-9(1-2-12(11)14)3-6-16-10-4-5-15-8-10/h1-2,7,10,15-16H,3-6,8H2
InChIKeyFPQCYFIJPOIFFQ-UHFFFAOYSA-N
MW242.72 g/mol
LogP1.97
Rot. Bonds4

About N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine

N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine (PubChem CID 115119037) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine
PubChem CID115119037
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC NameN-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine
SMILESFc1ccc(CCNC2CCNC2)cc1Cl
InChIInChI=1S/C12H16ClFN2/c13-11-7-9(1-2-12(11)14)3-6-16-10-4-5-15-8-10/h1-2,7,10,15-16H,3-6,8H2
InChIKeyFPQCYFIJPOIFFQ-UHFFFAOYSA-N
XLogP1.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
N-(azetidin-3-ylmethyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 115207813
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
5-[2-(pyrrolidin-3-ylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115119055
3-methyl-6-[2-(pyrrolidin-3-ylamino)ethyl]-1,3-benzoxazol-2-one
CID 115119054
1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120876434
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine
CID 69343769
N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
CID 115118986
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine (CID 115119037) is N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine is Fc1ccc(CCNC2CCNC2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is FPQCYFIJPOIFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-11-7-9(1-2-12(11)14)3-6-16-10-4-5-15-8-10/h1-2,7,10,15-16H,3-6,8H2.
What are the key properties of N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine?
N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 242.72 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 115119037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).