5-benzyl-2-pyrrolidin-1-ylaniline

C17H20N2 — CID 39356087

IUPAC5-benzyl-2-pyrrolidin-1-ylaniline
SMILESNc1cc(Cc2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C17H20N2/c18-16-13-15(12-14-6-2-1-3-7-14)8-9-17(16)19-10-4-5-11-19/h1-3,6-9,13H,4-5,10-12,18H2
InChIKeyLQLIVNDLDZBAEZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.46
Rot. Bonds3

About 5-benzyl-2-pyrrolidin-1-ylaniline

5-benzyl-2-pyrrolidin-1-ylaniline (PubChem CID 39356087) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-benzyl-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name5-benzyl-2-pyrrolidin-1-ylaniline
PubChem CID39356087
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name5-benzyl-2-pyrrolidin-1-ylaniline
SMILESNc1cc(Cc2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C17H20N2/c18-16-13-15(12-14-6-2-1-3-7-14)8-9-17(16)19-10-4-5-11-19/h1-3,6-9,13H,4-5,10-12,18H2
InChIKeyLQLIVNDLDZBAEZ-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-piperidin-1-ylaniline
CID 82506966
(3-amino-4-pyrrolidin-1-ylphenyl)methanol
CID 94830386
5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline
CID 39112407
5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline
CID 82071739
5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
CID 39407103
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
5-benzyl-2-chloroaniline
CID 39243776
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-pyrrolidin-1-ylaniline?
The IUPAC name of 5-benzyl-2-pyrrolidin-1-ylaniline (CID 39356087) is 5-benzyl-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for 5-benzyl-2-pyrrolidin-1-ylaniline?
The canonical SMILES for 5-benzyl-2-pyrrolidin-1-ylaniline is Nc1cc(Cc2ccccc2)ccc1N1CCCC1.
What is the InChIKey of 5-benzyl-2-pyrrolidin-1-ylaniline?
The InChIKey is LQLIVNDLDZBAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-16-13-15(12-14-6-2-1-3-7-14)8-9-17(16)19-10-4-5-11-19/h1-3,6-9,13H,4-5,10-12,18H2.
What are the key properties of 5-benzyl-2-pyrrolidin-1-ylaniline?
5-benzyl-2-pyrrolidin-1-ylaniline has a molecular weight of 252.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 39356087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).