(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

C18H22FN3 — CID 29038709

IUPAC(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccnc1)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C18H22FN3/c1-14(21-13-15-5-4-8-20-12-15)16-6-7-18(17(19)11-16)22-9-2-3-10-22/h4-8,11-12,14,21H,2-3,9-10,13H2,1H3/t14-/m1/s1
InChIKeyBAAXYGLNXRQBAB-CQSZACIVSA-N
MW299.39 g/mol
LogP3.67
Rot. Bonds5

About (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 29038709) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID29038709
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccnc1)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C18H22FN3/c1-14(21-13-15-5-4-8-20-12-15)16-6-7-18(17(19)11-16)22-9-2-3-10-22/h4-8,11-12,14,21H,2-3,9-10,13H2,1H3/t14-/m1/s1
InChIKeyBAAXYGLNXRQBAB-CQSZACIVSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038794
1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 75482348
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
N-[(1S)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylbutan-1-amine
CID 28963934
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
N-[(3-ethoxyphenyl)methyl]-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 60584518

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (CID 29038709) is (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine is C[C@@H](NCc1cccnc1)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is BAAXYGLNXRQBAB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FN3/c1-14(21-13-15-5-4-8-20-12-15)16-6-7-18(17(19)11-16)22-9-2-3-10-22/h4-8,11-12,14,21H,2-3,9-10,13H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 299.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 29038709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).