N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline

C17H19ClN2O — CID 29289496

IUPACN-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline
SMILESClc1cccc(CNc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-3-1-2-14(12-15)13-19-16-4-6-17(7-5-16)20-8-10-21-11-9-20/h1-7,12,19H,8-11,13H2
InChIKeyKYRDSVVGEXZHJM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.79
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline

N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline (PubChem CID 29289496) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline
PubChem CID29289496
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline
SMILESClc1cccc(CNc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-3-1-2-14(12-15)13-19-16-4-6-17(7-5-16)20-8-10-21-11-9-20/h1-7,12,19H,8-11,13H2
InChIKeyKYRDSVVGEXZHJM-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.79
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-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline (CID 29289496) is N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline is Clc1cccc(CNc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is KYRDSVVGEXZHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-3-1-2-14(12-15)13-19-16-4-6-17(7-5-16)20-8-10-21-11-9-20/h1-7,12,19H,8-11,13H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline?
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 302.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 29289496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).