[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine

C19H24N2 — CID 50982031

IUPAC[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H24N2/c20-13-16-11-12-21(14-16)15-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19H,11-15,20H2
InChIKeyGQHSQXSBVIDEBG-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.10
Rot. Bonds5

About [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine

[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine (PubChem CID 50982031) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
PubChem CID50982031
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H24N2/c20-13-16-11-12-21(14-16)15-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19H,11-15,20H2
InChIKeyGQHSQXSBVIDEBG-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 64566086
1-(2,2-diphenylethyl)-3-methylpyrrolidine
CID 22949855
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 119918090
(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124814478
(1-benzylazepan-3-yl)methanamine
CID 15718476
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 62063106
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine (CID 50982031) is [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine is NCC1CCN(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is GQHSQXSBVIDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-13-16-11-12-21(14-16)15-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19H,11-15,20H2.
What are the key properties of [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine?
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 50982031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).