1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine

C19H24N2 — CID 62514049

IUPAC1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C19H24N2/c1-20-14-17-11-12-21(15-17)19-10-6-5-9-18(19)13-16-7-3-2-4-8-16/h2-10,17,20H,11-15H2,1H3
InChIKeyLOKOYGIBHLMKGT-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.32
Rot. Bonds5

About 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 62514049) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID62514049
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C19H24N2/c1-20-14-17-11-12-21(15-17)19-10-6-5-9-18(19)13-16-7-3-2-4-8-16/h2-10,17,20H,11-15H2,1H3
InChIKeyLOKOYGIBHLMKGT-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513878
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
1-(2-benzylphenyl)-3-methyl-1,4-diazepane
CID 64945059
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
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-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 131925495

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine (CID 62514049) is 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2ccccc2Cc2ccccc2)C1.
What is the InChIKey of 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is LOKOYGIBHLMKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-20-14-17-11-12-21(15-17)19-10-6-5-9-18(19)13-16-7-3-2-4-8-16/h2-10,17,20H,11-15H2,1H3.
What are the key properties of 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62514049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).