4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine

C20H25FN2 — CID 154665335

IUPAC4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1cccc(-c2cccc(CC3C(N)C(F)CN3C)c2C)c1
InChIInChI=1S/C20H25FN2/c1-13-6-4-8-16(10-13)17-9-5-7-15(14(17)2)11-19-20(22)18(21)12-23(19)3/h4-10,18-20H,11-12,22H2,1-3H3
InChIKeyXOUFMXFRFZHKOY-UHFFFAOYSA-N
MW312.43 g/mol
LogP3.49
Rot. Bonds3

About 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine

4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 154665335) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID154665335
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1cccc(-c2cccc(CC3C(N)C(F)CN3C)c2C)c1
InChIInChI=1S/C20H25FN2/c1-13-6-4-8-16(10-13)17-9-5-7-15(14(17)2)11-19-20(22)18(21)12-23(19)3/h4-10,18-20H,11-12,22H2,1-3H3
InChIKeyXOUFMXFRFZHKOY-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine (CID 154665335) is 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine is Cc1cccc(-c2cccc(CC3C(N)C(F)CN3C)c2C)c1.
What is the InChIKey of 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is XOUFMXFRFZHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-13-6-4-8-16(10-13)17-9-5-7-15(14(17)2)11-19-20(22)18(21)12-23(19)3/h4-10,18-20H,11-12,22H2,1-3H3.
What are the key properties of 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine?
4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 312.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-[[2-methyl-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 154665335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).