2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline

C18H22N2 — CID 107911336

IUPAC2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESc1ccc(-c2ccccc2NCCN2CCCC2)cc1
InChIInChI=1S/C18H22N2/c1-2-8-16(9-3-1)17-10-4-5-11-18(17)19-12-15-20-13-6-7-14-20/h1-5,8-11,19H,6-7,12-15H2
InChIKeyWMANTMPOQYZNDY-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.86
Rot. Bonds5

About 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline

2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 107911336) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID107911336
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESc1ccc(-c2ccccc2NCCN2CCCC2)cc1
InChIInChI=1S/C18H22N2/c1-2-8-16(9-3-1)17-10-4-5-11-18(17)19-12-15-20-13-6-7-14-20/h1-5,8-11,19H,6-7,12-15H2
InChIKeyWMANTMPOQYZNDY-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline (CID 107911336) is 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline is c1ccc(-c2ccccc2NCCN2CCCC2)cc1.
What is the InChIKey of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is WMANTMPOQYZNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-8-16(9-3-1)17-10-4-5-11-18(17)19-12-15-20-13-6-7-14-20/h1-5,8-11,19H,6-7,12-15H2.
What are the key properties of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline?
2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 266.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 107911336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).