4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine

C16H18FN3O — CID 99839093

IUPAC4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)ccn1
InChIInChI=1S/C16H18FN3O/c17-13-2-1-3-14(9-13)21-15-5-7-20(11-15)10-12-4-6-19-16(18)8-12/h1-4,6,8-9,15H,5,7,10-11H2,(H2,18,19)/t15-/m1/s1
InChIKeyCSRKZTGXZBECET-OAHLLOKOSA-N
MW287.34 g/mol
LogP2.46
Rot. Bonds4

About 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine

4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine (PubChem CID 99839093) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine
PubChem CID99839093
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)ccn1
InChIInChI=1S/C16H18FN3O/c17-13-2-1-3-14(9-13)21-15-5-7-20(11-15)10-12-4-6-19-16(18)8-12/h1-4,6,8-9,15H,5,7,10-11H2,(H2,18,19)/t15-/m1/s1
InChIKeyCSRKZTGXZBECET-OAHLLOKOSA-N
XLogP2.46
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-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

4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 100699222
4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981142
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
4-[[4-[4-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
CID 44816518
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100748397
3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
7-(3-fluorophenoxy)-2-(furan-3-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 131663400
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine (CID 99839093) is 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine is Nc1cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)ccn1.
What is the InChIKey of 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is CSRKZTGXZBECET-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-13-2-1-3-14(9-13)21-15-5-7-20(11-15)10-12-4-6-19-16(18)8-12/h1-4,6,8-9,15H,5,7,10-11H2,(H2,18,19)/t15-/m1/s1.
What are the key properties of 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine?
4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 287.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 99839093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).