(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine

C12H19N3 — CID 129407390

IUPAC(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine
SMILESCN(C)c1ccc([C@@H]2CNC[C@@H]2N)cc1
InChIInChI=1S/C12H19N3/c1-15(2)10-5-3-9(4-6-10)11-7-14-8-12(11)13/h3-6,11-12,14H,7-8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyRNFZKQZLZIBFTR-RYUDHWBXSA-N
MW205.31 g/mol
LogP0.77
Rot. Bonds2

About (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine

(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine (PubChem CID 129407390) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine
PubChem CID129407390
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine
SMILESCN(C)c1ccc([C@@H]2CNC[C@@H]2N)cc1
InChIInChI=1S/C12H19N3/c1-15(2)10-5-3-9(4-6-10)11-7-14-8-12(11)13/h3-6,11-12,14H,7-8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyRNFZKQZLZIBFTR-RYUDHWBXSA-N
XLogP0.77
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine (CID 129407390) is (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine is CN(C)c1ccc([C@@H]2CNC[C@@H]2N)cc1.
What is the InChIKey of (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine?
The InChIKey is RNFZKQZLZIBFTR-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(2)10-5-3-9(4-6-10)11-7-14-8-12(11)13/h3-6,11-12,14H,7-8,13H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine?
(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine has a molecular weight of 205.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 129407390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).