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

C19H25N3 — CID 120770437

IUPAC(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
SMILESCN(C)c1ccccc1CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H25N3/c1-21(2)19-11-7-6-10-16(19)12-22-13-17(18(20)14-22)15-8-4-3-5-9-15/h3-11,17-18H,12-14,20H2,1-2H3/t17-,18+/m0/s1
InChIKeyVSGSBLDDDNCAGN-ZWKOTPCHSA-N
MW295.43 g/mol
LogP2.68
Rot. Bonds4

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

(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120770437) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is (3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120770437
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
SMILESCN(C)c1ccccc1CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H25N3/c1-21(2)19-11-7-6-10-16(19)12-22-13-17(18(20)14-22)15-8-4-3-5-9-15/h3-11,17-18H,12-14,20H2,1-2H3/t17-,18+/m0/s1
InChIKeyVSGSBLDDDNCAGN-ZWKOTPCHSA-N
XLogP2.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770244
(3S,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770550
(3S,4R)-1-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770206
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
(3S,4R)-4-phenyl-1-[(2-prop-2-enoxyphenyl)methyl]pyrrolidin-3-amine
CID 120769958
(3S,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769852
(3S,4R)-1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770405
(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 120762003
(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769959

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine (CID 120770437) is (3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine is CN(C)c1ccccc1CN1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is VSGSBLDDDNCAGN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H25N3/c1-21(2)19-11-7-6-10-16(19)12-22-13-17(18(20)14-22)15-8-4-3-5-9-15/h3-11,17-18H,12-14,20H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 295.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120770437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).