N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine

C12H18N2 — CID 42258344

IUPACN-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-13-9-11-7-8-14(10-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m1/s1
InChIKeySANIGXYLRPTFNH-LLVKDONJSA-N
MW190.29 g/mol
LogP1.73
Rot. Bonds3

About N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine

N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine (PubChem CID 42258344) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
PubChem CID42258344
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
SMILESCNC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-13-9-11-7-8-14(10-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m1/s1
InChIKeySANIGXYLRPTFNH-LLVKDONJSA-N
XLogP1.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 104973734
N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
N-methyl-1-(1-phenylpyrrolidin-3-yl)propan-2-amine
CID 83981144
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 94166556
1-[1-[4-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267403
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-benzyl-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110954016

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine (CID 42258344) is N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine is CNC[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is SANIGXYLRPTFNH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-9-11-7-8-14(10-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine?
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 42258344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).