(3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine

C13H18ClFN2O — CID 15604680

IUPAC(3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN(c1ccc(F)c(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C13H18ClFN2O/c1-18-7-6-17(11-4-5-16-9-11)10-2-3-13(15)12(14)8-10/h2-3,8,11,16H,4-7,9H2,1H3/t11-/m0/s1
InChIKeyUNEZVEUPNRSKAY-NSHDSACASA-N
MW272.75 g/mol
LogP2.29
Rot. Bonds5

About (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine

(3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 15604680) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID15604680
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name(3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN(c1ccc(F)c(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C13H18ClFN2O/c1-18-7-6-17(11-4-5-16-9-11)10-2-3-13(15)12(14)8-10/h2-3,8,11,16H,4-7,9H2,1H3/t11-/m0/s1
InChIKeyUNEZVEUPNRSKAY-NSHDSACASA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)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

Related Compounds

(3S)-N-(3-chloro-4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine;hydrochloride
CID 66657175
bis(but-2-enedioic acid);N-(3-chloro-4-fluorophenyl)-N-(4-pyridin-2-yloxybutyl)pyrrolidin-3-amine
CID 66657214
N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
CID 15604599
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine
CID 66657165
5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304263
N-(4-chlorophenyl)-N-methylpiperidin-4-amine
CID 67274913
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125146023
N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115119108
N-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 105450394

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine (CID 15604680) is (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine is COCCN(c1ccc(F)c(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is UNEZVEUPNRSKAY-NSHDSACASA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-18-7-6-17(11-4-5-16-9-11)10-2-3-13(15)12(14)8-10/h2-3,8,11,16H,4-7,9H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine?
(3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 272.75 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 15604680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).