(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine

C12H18N2 — CID 132599012

IUPAC(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCN[C@H](c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C12H18N2/c1-13-12(11-8-5-9-14-11)10-6-3-2-4-7-10/h2-4,6-7,11-14H,5,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyNZJRZWSHBAGGMJ-NWDGAFQWSA-N
MW190.29 g/mol
LogP1.70
Rot. Bonds3

About (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine

(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine (PubChem CID 132599012) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
PubChem CID132599012
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCN[C@H](c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C12H18N2/c1-13-12(11-8-5-9-14-11)10-6-3-2-4-7-10/h2-4,6-7,11-14H,5,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyNZJRZWSHBAGGMJ-NWDGAFQWSA-N
XLogP1.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950906
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950939
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047905
(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047901
(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine
CID 7047899
1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950981
2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 68647594

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine?
The IUPAC name of (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine (CID 132599012) is (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine.
What is the SMILES notation for (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine?
The canonical SMILES for (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine is CN[C@H](c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine?
The InChIKey is NZJRZWSHBAGGMJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-12(11-8-5-9-14-11)10-6-3-2-4-7-10/h2-4,6-7,11-14H,5,8-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine?
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 132599012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).