(3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine

C18H18Cl2F2N2 — CID 69062139

IUPAC(3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine
SMILESFc1ccc(CN(Cc2ccc(F)cc2Cl)[C@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C18H18Cl2F2N2/c19-17-7-14(21)3-1-12(17)10-24(16-5-6-23-9-16)11-13-2-4-15(22)8-18(13)20/h1-4,7-8,16,23H,5-6,9-11H2/t16-/m0/s1
InChIKeyYMNGOMBMDQBZQA-INIZCTEOSA-N
MW371.26 g/mol
LogP4.64
Rot. Bonds5

About (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine

(3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 69062139) has the molecular formula C18H18Cl2F2N2 and a molecular weight of 371.26 g/mol. Its IUPAC name is (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine
PubChem CID69062139
Molecular FormulaC18H18Cl2F2N2
Molecular Weight371.26 g/mol
Exact Mass370.08
IUPAC Name(3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine
SMILESFc1ccc(CN(Cc2ccc(F)cc2Cl)[C@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C18H18Cl2F2N2/c19-17-7-14(21)3-1-12(17)10-24(16-5-6-23-9-16)11-13-2-4-15(22)8-18(13)20/h1-4,7-8,16,23H,5-6,9-11H2/t16-/m0/s1
InChIKeyYMNGOMBMDQBZQA-INIZCTEOSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine (CID 69062139) is (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine is Fc1ccc(CN(Cc2ccc(F)cc2Cl)[C@H]2CCNC2)c(Cl)c1.
What is the InChIKey of (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is YMNGOMBMDQBZQA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18Cl2F2N2/c19-17-7-14(21)3-1-12(17)10-24(16-5-6-23-9-16)11-13-2-4-15(22)8-18(13)20/h1-4,7-8,16,23H,5-6,9-11H2/t16-/m0/s1.
What are the key properties of (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine?
(3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 371.26 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-bis[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69062139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).