N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline

C19H24N2O — CID 10637703

IUPACN-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline
SMILESc1ccc(NCc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-2-6-18(7-3-1)20-16-17-8-10-19(11-9-17)22-15-14-21-12-4-5-13-21/h1-3,6-11,20H,4-5,12-16H2
InChIKeyUNVYLYMRGBRHDL-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.77
Rot. Bonds7

About N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline

N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline (PubChem CID 10637703) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline
PubChem CID10637703
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline
SMILESc1ccc(NCc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-2-6-18(7-3-1)20-16-17-8-10-19(11-9-17)22-15-14-21-12-4-5-13-21/h1-3,6-11,20H,4-5,12-16H2
InChIKeyUNVYLYMRGBRHDL-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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline?
The IUPAC name of N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline (CID 10637703) is N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline.
What is the SMILES notation for N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline?
The canonical SMILES for N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline is c1ccc(NCc2ccc(OCCN3CCCC3)cc2)cc1.
What is the InChIKey of N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline?
The InChIKey is UNVYLYMRGBRHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-6-18(7-3-1)20-16-17-8-10-19(11-9-17)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-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline?
N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]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-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 10637703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).