[(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride

C18H25Cl2N3 — CID 120759956

IUPAC[(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCC(c1cccnc1)N1C[C@@H](CN)[C@H](c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C18H23N3.2ClH/c1-14(16-8-5-9-20-11-16)21-12-17(10-19)18(13-21)15-6-3-2-4-7-15;;/h2-9,11,14,17-18H,10,12-13,19H2,1H3;2*1H/t14?,17-,18+;;/m1../s1
InChIKeyRFTVKSQDDOZOCJ-LZXDIWCISA-N
MW354.33 g/mol
LogP3.66
Rot. Bonds4

About [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride

[(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride (PubChem CID 120759956) has the molecular formula C18H25Cl2N3 and a molecular weight of 354.33 g/mol. Its IUPAC name is [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
PubChem CID120759956
Molecular FormulaC18H25Cl2N3
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name[(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCC(c1cccnc1)N1C[C@@H](CN)[C@H](c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C18H23N3.2ClH/c1-14(16-8-5-9-20-11-16)21-12-17(10-19)18(13-21)15-6-3-2-4-7-15;;/h2-9,11,14,17-18H,10,12-13,19H2,1H3;2*1H/t14?,17-,18+;;/m1../s1
InChIKeyRFTVKSQDDOZOCJ-LZXDIWCISA-N
XLogP3.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-4-phenyl-1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120759864
[(3R,4R)-1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759581
4-methyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 103575296
5-methyl-1-(1-pyridin-3-ylethyl)piperidin-3-amine
CID 79986189
(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120761263
[(3R,4R)-4-phenyl-1-[1-(1-phenyltriazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 120759516
(3S,4R)-4-phenyl-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 120761578
[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758912
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(1-phenylethyl)propanamide
CID 120758493
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one
CID 120743124
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120758550

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride (CID 120759956) is [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride is CC(c1cccnc1)N1C[C@@H](CN)[C@H](c2ccccc2)C1.Cl.Cl.
What is the InChIKey of [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride?
The InChIKey is RFTVKSQDDOZOCJ-LZXDIWCISA-N. The full InChI is InChI=1S/C18H23N3.2ClH/c1-14(16-8-5-9-20-11-16)21-12-17(10-19)18(13-21)15-6-3-2-4-7-15;;/h2-9,11,14,17-18H,10,12-13,19H2,1H3;2*1H/t14?,17-,18+;;/m1../s1.
What are the key properties of [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride?
[(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride has a molecular weight of 354.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-phenyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 120759956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).