(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine

C17H21N3 — CID 146402230

IUPAC(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
SMILESCc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2N)cn1
InChIInChI=1S/C17H21N3/c1-13-7-8-15(9-19-13)16-11-20(12-17(16)18)10-14-5-3-2-4-6-14/h2-9,16-17H,10-12,18H2,1H3/t16-,17+/m1/s1
InChIKeyIHBXEVXRQPFUCY-SJORKVTESA-N
MW267.38 g/mol
LogP2.32
Rot. Bonds3

About (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine

(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine (PubChem CID 146402230) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
PubChem CID146402230
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
SMILESCc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2N)cn1
InChIInChI=1S/C17H21N3/c1-13-7-8-15(9-19-13)16-11-20(12-17(16)18)10-14-5-3-2-4-6-14/h2-9,16-17H,10-12,18H2,1H3/t16-,17+/m1/s1
InChIKeyIHBXEVXRQPFUCY-SJORKVTESA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
CID 146550494
1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine
CID 131117119
(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 139593254
(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846809
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 129353823
(3S,4R)-1-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770232
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
2-(6-methyl-3-pyridinyl)cyclobutan-1-amine
CID 81013608
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(3S,4R)-1-[(3-fluoro-4-methylphenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770001
(3S,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769889
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine (CID 146402230) is (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine is Cc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2N)cn1.
What is the InChIKey of (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine?
The InChIKey is IHBXEVXRQPFUCY-SJORKVTESA-N. The full InChI is InChI=1S/C17H21N3/c1-13-7-8-15(9-19-13)16-11-20(12-17(16)18)10-14-5-3-2-4-6-14/h2-9,16-17H,10-12,18H2,1H3/t16-,17+/m1/s1.
What are the key properties of (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine?
(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine has a molecular weight of 267.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 146402230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).