(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine

C15H24N2 — CID 70936493

IUPAC(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN[C@@H](c1ccccc1)[C@@H](C)CN1CCCC1
InChIInChI=1S/C15H24N2/c1-13(12-17-10-6-7-11-17)15(16-2)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyBCMLUHRWDOLMAI-DZGCQCFKSA-N
MW232.37 g/mol
LogP2.68
Rot. Bonds5

About (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine

(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 70936493) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID70936493
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN[C@@H](c1ccccc1)[C@@H](C)CN1CCCC1
InChIInChI=1S/C15H24N2/c1-13(12-17-10-6-7-11-17)15(16-2)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyBCMLUHRWDOLMAI-DZGCQCFKSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine
CID 62617575
3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
CID 106589070
[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
CID 62617928
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535
methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium
CID 87107185
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618034
1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
CID 58172305
2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618035
1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
CID 62619132
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine (CID 70936493) is (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine is CN[C@@H](c1ccccc1)[C@@H](C)CN1CCCC1.
What is the InChIKey of (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is BCMLUHRWDOLMAI-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(12-17-10-6-7-11-17)15(16-2)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine?
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 70936493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).