2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine

C19H24N2 — CID 61226976

IUPAC2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
SMILESCC1CCN(C(c2ccccc2)C(N)c2ccccc2)C1
InChIInChI=1S/C19H24N2/c1-15-12-13-21(14-15)19(17-10-6-3-7-11-17)18(20)16-8-4-2-5-9-16/h2-11,15,18-19H,12-14,20H2,1H3
InChIKeyUIKCGLSTYVEEIJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.77
Rot. Bonds4

About 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine

2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine (PubChem CID 61226976) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
PubChem CID61226976
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
SMILESCC1CCN(C(c2ccccc2)C(N)c2ccccc2)C1
InChIInChI=1S/C19H24N2/c1-15-12-13-21(14-15)19(17-10-6-3-7-11-17)18(20)16-8-4-2-5-9-16/h2-11,15,18-19H,12-14,20H2,1H3
InChIKeyUIKCGLSTYVEEIJ-UHFFFAOYSA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 16781161
2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 61222019
1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
CID 55016632
1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
CID 103530869
3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63068810
2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857052
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
2-methyl-N-[2-(3-methylpyrrolidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62428755
4-methyl-1-(3-phenylbutan-2-yl)piperidine
CID 176713457
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine (CID 61226976) is 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine is CC1CCN(C(c2ccccc2)C(N)c2ccccc2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine?
The InChIKey is UIKCGLSTYVEEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15-12-13-21(14-15)19(17-10-6-3-7-11-17)18(20)16-8-4-2-5-9-16/h2-11,15,18-19H,12-14,20H2,1H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine?
2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine is sourced from PubChem (CID 61226976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).