(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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Related Compounds

(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidine-3-carbonitrile
CID 129463067
(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 129359671
carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine
CID 161253408
N,N-dimethyl-4-(3-methylpiperidin-4-yl)aniline
CID 66280813
N-[4-(4-tert-butylphenyl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 146596160
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine
CID 82617230
N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride
CID 19390920
cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol
CID 26595121
1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
CID 165483276
4-[2-(2-aminoethyl)pyrrolidin-3-yl]-N,N-dimethylaniline
CID 82620194
4-amino-5-[4-(dimethylamino)phenyl]-1,5-dihydroimidazol-2-one
CID 79962105

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).