N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline

C19H24N2O — CID 10661644

IUPACN-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline
SMILESc1ccc(CNc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-2-6-17(7-3-1)16-20-18-8-10-19(11-9-18)22-15-14-21-12-4-5-13-21/h1-3,6-11,20H,4-5,12-16H2
InChIKeyJQXVXZGWSSYBLB-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.77
Rot. Bonds7

About N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline

N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline (PubChem CID 10661644) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline.

Molecular Properties

Compound NameN-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline
PubChem CID10661644
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline
SMILESc1ccc(CNc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-2-6-17(7-3-1)16-20-18-8-10-19(11-9-18)22-15-14-21-12-4-5-13-21/h1-3,6-11,20H,4-5,12-16H2
InChIKeyJQXVXZGWSSYBLB-UHFFFAOYSA-N
XLogP3.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline?
The IUPAC name of N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline (CID 10661644) is N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline.
What is the SMILES notation for N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline?
The canonical SMILES for N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline is c1ccc(CNc2ccc(OCCN3CCCC3)cc2)cc1.
What is the InChIKey of N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline?
The InChIKey is JQXVXZGWSSYBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-6-17(7-3-1)16-20-18-8-10-19(11-9-18)22-15-14-21-12-4-5-13-21/h1-3,6-11,20H,4-5,12-16H2.
What are the key properties of N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline?
N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline has a molecular weight of 296.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-pyrrolidin-1-ylethoxy)aniline is sourced from PubChem (CID 10661644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).