N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine

C13H17Cl2FN2 — CID 63298327

IUPACN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCC(c1cc(F)c(Cl)cc1Cl)N(C)C1CCNC1
InChIInChI=1S/C13H17Cl2FN2/c1-8(18(2)9-3-4-17-7-9)10-5-13(16)12(15)6-11(10)14/h5-6,8-9,17H,3-4,7H2,1-2H3
InChIKeyVRFPECVPYRICKK-UHFFFAOYSA-N
MW291.20 g/mol
LogP3.49
Rot. Bonds3

About N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine (PubChem CID 63298327) has the molecular formula C13H17Cl2FN2 and a molecular weight of 291.20 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
PubChem CID63298327
Molecular FormulaC13H17Cl2FN2
Molecular Weight291.20 g/mol
Exact Mass290.08
IUPAC NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCC(c1cc(F)c(Cl)cc1Cl)N(C)C1CCNC1
InChIInChI=1S/C13H17Cl2FN2/c1-8(18(2)9-3-4-17-7-9)10-5-13(16)12(15)6-11(10)14/h5-6,8-9,17H,3-4,7H2,1-2H3
InChIKeyVRFPECVPYRICKK-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromo-2-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 82970177
N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114059322
N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114079689
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11209793
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol
CID 63643683
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine (CID 63298327) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine is CC(c1cc(F)c(Cl)cc1Cl)N(C)C1CCNC1.
What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is VRFPECVPYRICKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2/c1-8(18(2)9-3-4-17-7-9)10-5-13(16)12(15)6-11(10)14/h5-6,8-9,17H,3-4,7H2,1-2H3.
What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 291.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63298327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).