N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride

C18H23ClN2O2 — CID 163329675

IUPACN-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride
SMILESCOc1ccccc1CNc1ccc(N2CCOCC2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-21-18-5-3-2-4-15(18)14-19-16-6-8-17(9-7-16)20-10-12-22-13-11-20;/h2-9,19H,10-14H2,1H3;1H
InChIKeyXBKBEPQNUQXMMY-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.57
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride

N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride (PubChem CID 163329675) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride
PubChem CID163329675
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride
SMILESCOc1ccccc1CNc1ccc(N2CCOCC2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-21-18-5-3-2-4-15(18)14-19-16-6-8-17(9-7-16)20-10-12-22-13-11-20;/h2-9,19H,10-14H2,1H3;1H
InChIKeyXBKBEPQNUQXMMY-UHFFFAOYSA-N
XLogP3.57
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.57
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-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride (CID 163329675) is N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride is COc1ccccc1CNc1ccc(N2CCOCC2)cc1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride?
The InChIKey is XBKBEPQNUQXMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-21-18-5-3-2-4-15(18)14-19-16-6-8-17(9-7-16)20-10-12-22-13-11-20;/h2-9,19H,10-14H2,1H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride?
N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride is sourced from PubChem (CID 163329675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).