N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine

C15H23FN2 — CID 83981537

IUPACN-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine
SMILESCCNC(C)CC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2/c1-3-17-12(2)9-13-7-8-18(11-13)15-6-4-5-14(16)10-15/h4-6,10,12-13,17H,3,7-9,11H2,1-2H3
InChIKeyRXNGAPVJDVBPKA-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine

N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine (PubChem CID 83981537) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine
PubChem CID83981537
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine
SMILESCCNC(C)CC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2/c1-3-17-12(2)9-13-7-8-18(11-13)15-6-4-5-14(16)10-15/h4-6,10,12-13,17H,3,7-9,11H2,1-2H3
InChIKeyRXNGAPVJDVBPKA-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-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

1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-N-ethylpropan-2-amine
CID 83981873
methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981517
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
CID 83981540
N-methyl-1-(1-phenylpyrrolidin-3-yl)propan-2-amine
CID 83981144
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64919809
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine
CID 83980661
[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
CID 112625992
N-[[1-(3-propan-2-yloxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792855
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
1-[1-(4-methoxyphenyl)pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83981186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine (CID 83981537) is N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine is CCNC(C)CC1CCN(c2cccc(F)c2)C1.
What is the InChIKey of N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine?
The InChIKey is RXNGAPVJDVBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-17-12(2)9-13-7-8-18(11-13)15-6-4-5-14(16)10-15/h4-6,10,12-13,17H,3,7-9,11H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine?
N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine is sourced from PubChem (CID 83981537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).