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

C21H23N3 — CID 120846809

IUPAC(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1ccc2cc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)ccc2n1
InChIInChI=1S/C21H23N3/c1-15-7-9-18-11-16(8-10-21(18)23-15)12-24-13-19(20(22)14-24)17-5-3-2-4-6-17/h2-11,19-20H,12-14,22H2,1H3/t19-,20+/m0/s1
InChIKeyAXRRZJVZTTVDJZ-VQTJNVASSA-N
MW317.44 g/mol
LogP3.47
Rot. Bonds3

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

(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120846809) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is (3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120846809
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1ccc2cc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)ccc2n1
InChIInChI=1S/C21H23N3/c1-15-7-9-18-11-16(8-10-21(18)23-15)12-24-13-19(20(22)14-24)17-5-3-2-4-6-17/h2-11,19-20H,12-14,22H2,1H3/t19-,20+/m0/s1
InChIKeyAXRRZJVZTTVDJZ-VQTJNVASSA-N
XLogP3.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 167885486
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
(3S,4R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846823
(3S,4R)-1-[(3-fluoro-4-methylphenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770001
(3S,4R)-1-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770389
(3S,4R)-1-[(1-methylbenzimidazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770285
(3S,4R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770036
(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 146402230
(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
CID 146550494
2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
CID 105379685
5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122125208
[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120759943

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine (CID 120846809) is (3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine is Cc1ccc2cc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)ccc2n1.
What is the InChIKey of (3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is AXRRZJVZTTVDJZ-VQTJNVASSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-7-9-18-11-16(8-10-21(18)23-15)12-24-13-19(20(22)14-24)17-5-3-2-4-6-17/h2-11,19-20H,12-14,22H2,1H3/t19-,20+/m0/s1.
What are the key properties of (3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 317.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120846809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).