(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine

C13H19FN2 — CID 59641914

IUPAC(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
SMILESCCN[C@@H]1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H19FN2/c1-2-15-13-7-8-16(10-13)9-11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyHGGGFUXTKKSXCQ-CYBMUJFWSA-N
MW222.31 g/mol
LogP2.01
Rot. Bonds4

About (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine

(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 59641914) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
PubChem CID59641914
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
SMILESCCN[C@@H]1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H19FN2/c1-2-15-13-7-8-16(10-13)9-11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyHGGGFUXTKKSXCQ-CYBMUJFWSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-N-ethyl-1-[(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

Related Compounds

N-ethyl-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 62994803
1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 142707489
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
N,N-diethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 168961754
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83986150
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 5184956

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine (CID 59641914) is (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine is CCN[C@@H]1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is HGGGFUXTKKSXCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-15-13-7-8-16(10-13)9-11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine?
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 222.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 59641914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).