(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride

C13H20ClFN2 — CID 120836422

IUPAC(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCc1cccc(F)c1CN1CC[C@H](N)C1.Cl
InChIInChI=1S/C13H19FN2.ClH/c1-2-10-4-3-5-13(14)12(10)9-16-7-6-11(15)8-16;/h3-5,11H,2,6-9,15H2,1H3;1H/t11-;/m0./s1
InChIKeyPMIHLGVRGCLERJ-MERQFXBCSA-N
MW258.77 g/mol
LogP2.34
Rot. Bonds3

About (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120836422) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120836422
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCc1cccc(F)c1CN1CC[C@H](N)C1.Cl
InChIInChI=1S/C13H19FN2.ClH/c1-2-10-4-3-5-13(14)12(10)9-16-7-6-11(15)8-16;/h3-5,11H,2,6-9,15H2,1H3;1H/t11-;/m0./s1
InChIKeyPMIHLGVRGCLERJ-MERQFXBCSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride 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-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
CID 120834571
1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838596
1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 120838232
(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845639
(3R)-1-[(2,3,6-trifluorophenyl)methyl]pyrrolidin-3-amine
CID 142326312
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine
CID 120845888
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine
CID 106264844
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
CID 55030032
1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 11368047

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120836422) is (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is CCc1cccc(F)c1CN1CC[C@H](N)C1.Cl.
What is the InChIKey of (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is PMIHLGVRGCLERJ-MERQFXBCSA-N. The full InChI is InChI=1S/C13H19FN2.ClH/c1-2-10-4-3-5-13(14)12(10)9-16-7-6-11(15)8-16;/h3-5,11H,2,6-9,15H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120836422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).