N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline

C18H22N2O2 — CID 2268617

IUPACN-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCOc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-21-18-8-2-15(3-9-18)14-19-16-4-6-17(7-5-16)20-10-12-22-13-11-20/h2-9,19H,10-14H2,1H3
InChIKeyKGPFQDHLTUOKSZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.14
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline

N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline (PubChem CID 2268617) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline
PubChem CID2268617
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCOc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-21-18-8-2-15(3-9-18)14-19-16-4-6-17(7-5-16)20-10-12-22-13-11-20/h2-9,19H,10-14H2,1H3
InChIKeyKGPFQDHLTUOKSZ-UHFFFAOYSA-N
XLogP3.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline (CID 2268617) is N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline is COc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is KGPFQDHLTUOKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-21-18-8-2-15(3-9-18)14-19-16-4-6-17(7-5-16)20-10-12-22-13-11-20/h2-9,19H,10-14H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline?
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 298.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 2268617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).