(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine

C18H23N3O — CID 120770036

IUPAC(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCOc1cc(C)nc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C18H23N3O/c1-13-8-16(22-2)9-15(20-13)10-21-11-17(18(19)12-21)14-6-4-3-5-7-14/h3-9,17-18H,10-12,19H2,1-2H3/t17-,18+/m0/s1
InChIKeyLOLPRDIUYLSRKI-ZWKOTPCHSA-N
MW297.40 g/mol
LogP2.33
Rot. Bonds4

About (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120770036) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120770036
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCOc1cc(C)nc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C18H23N3O/c1-13-8-16(22-2)9-15(20-13)10-21-11-17(18(19)12-21)14-6-4-3-5-7-14/h3-9,17-18H,10-12,19H2,1-2H3/t17-,18+/m0/s1
InChIKeyLOLPRDIUYLSRKI-ZWKOTPCHSA-N
XLogP2.33
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-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

(3S,4R)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120760389
(3S,4R)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120760388
(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 82893576
(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846809
(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 120769866
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
(3S,4R)-1-[(5-methoxy-1-benzofuran-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770386
(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120761299
(3S,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769889
(3S,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769852
(3S,4R)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761019

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine (CID 120770036) is (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine is COc1cc(C)nc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1.
What is the InChIKey of (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is LOLPRDIUYLSRKI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-8-16(22-2)9-15(20-13)10-21-11-17(18(19)12-21)14-6-4-3-5-7-14/h3-9,17-18H,10-12,19H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 297.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120770036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).