4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline

C17H20N2 — CID 62589445

IUPAC4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline
SMILESCc1ccc(N)cc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H20N2/c1-13-7-8-16(18)11-17(13)19-10-9-15(12-19)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12,18H2,1H3
InChIKeyGQDWHFBDYZHHPQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.57
Rot. Bonds2

About 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline

4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline (PubChem CID 62589445) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline
PubChem CID62589445
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline
SMILESCc1ccc(N)cc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H20N2/c1-13-7-8-16(18)11-17(13)19-10-9-15(12-19)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12,18H2,1H3
InChIKeyGQDWHFBDYZHHPQ-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline?
The IUPAC name of 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline (CID 62589445) is 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline?
The canonical SMILES for 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline is Cc1ccc(N)cc1N1CCC(c2ccccc2)C1.
What is the InChIKey of 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline?
The InChIKey is GQDWHFBDYZHHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-7-8-16(18)11-17(13)19-10-9-15(12-19)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12,18H2,1H3.
What are the key properties of 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline?
4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline has a molecular weight of 252.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 62589445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).