(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine

C19H24N2 — CID 120770244

IUPAC(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1ccc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c(C)c1
InChIInChI=1S/C19H24N2/c1-14-8-9-17(15(2)10-14)11-21-12-18(19(20)13-21)16-6-4-3-5-7-16/h3-10,18-19H,11-13,20H2,1-2H3/t18-,19+/m0/s1
InChIKeyLNMQNBCOZLGNEL-RBUKOAKNSA-N
MW280.42 g/mol
LogP3.23
Rot. Bonds3

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

(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120770244) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120770244
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1ccc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c(C)c1
InChIInChI=1S/C19H24N2/c1-14-8-9-17(15(2)10-14)11-21-12-18(19(20)13-21)16-6-4-3-5-7-16/h3-10,18-19H,11-13,20H2,1-2H3/t18-,19+/m0/s1
InChIKeyLNMQNBCOZLGNEL-RBUKOAKNSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120846814
(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770437
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 120749868
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
(3S,4R)-1-[(3-fluoro-4-methylphenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770001
(3S,4R)-1-[(2-bromo-4-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761348
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120761299
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 120761700
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
(3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770206

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine (CID 120770244) is (3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine is Cc1ccc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c(C)c1.
What is the InChIKey of (3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is LNMQNBCOZLGNEL-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H24N2/c1-14-8-9-17(15(2)10-14)11-21-12-18(19(20)13-21)16-6-4-3-5-7-16/h3-10,18-19H,11-13,20H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120770244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).