(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine

C12H18N2 — CID 93285994

IUPAC(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ccc(C)cc2)C1
InChIInChI=1S/C12H18N2/c1-10-3-5-12(6-4-10)14-8-7-11(9-14)13-2/h3-6,11,13H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyUUFVTWNUFANLCR-LLVKDONJSA-N
MW190.29 g/mol
LogP1.79
Rot. Bonds2

About (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine

(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine (PubChem CID 93285994) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
PubChem CID93285994
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ccc(C)cc2)C1
InChIInChI=1S/C12H18N2/c1-10-3-5-12(6-4-10)14-8-7-11(9-14)13-2/h3-6,11,13H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyUUFVTWNUFANLCR-LLVKDONJSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
N-methyl-1-(5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 107585704
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689
1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
CID 111923559
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 107622018
2-(cyclopropylmethyl)-1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
CID 111923625
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83993100

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine (CID 93285994) is (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine is CN[C@@H]1CCN(c2ccc(C)cc2)C1.
What is the InChIKey of (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine?
The InChIKey is UUFVTWNUFANLCR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-3-5-12(6-4-10)14-8-7-11(9-14)13-2/h3-6,11,13H,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine?
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 93285994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).