N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline

C19H24N2O — CID 755971

IUPACN-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline
SMILESCCOc1ccc(CNc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-2-22-19-11-5-16(6-12-19)15-20-17-7-9-18(10-8-17)21-13-3-4-14-21/h5-12,20H,2-4,13-15H2,1H3
InChIKeyZGSRIWGMVVTLKB-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.30
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline

N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline (PubChem CID 755971) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline
PubChem CID755971
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline
SMILESCCOc1ccc(CNc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-2-22-19-11-5-16(6-12-19)15-20-17-7-9-18(10-8-17)21-13-3-4-14-21/h5-12,20H,2-4,13-15H2,1H3
InChIKeyZGSRIWGMVVTLKB-UHFFFAOYSA-N
XLogP4.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline (CID 755971) is N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline is CCOc1ccc(CNc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline?
The InChIKey is ZGSRIWGMVVTLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-22-19-11-5-16(6-12-19)15-20-17-7-9-18(10-8-17)21-13-3-4-14-21/h5-12,20H,2-4,13-15H2,1H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline?
N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline has a molecular weight of 296.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 755971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).