(S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol

C17H19ClN2O2 — CID 27261608

IUPAC(S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol
SMILESNc1cc([C@@H](O)c2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C17H19ClN2O2/c18-14-4-1-12(2-5-14)17(21)13-3-6-16(15(19)11-13)20-7-9-22-10-8-20/h1-6,11,17,21H,7-10,19H2/t17-/m0/s1
InChIKeyIPMNVEMTQJYOFH-KRWDZBQOSA-N
MW318.80 g/mol
LogP2.84
Rot. Bonds3

About (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol

(S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol (PubChem CID 27261608) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol
PubChem CID27261608
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol
SMILESNc1cc([C@@H](O)c2ccc(Cl)cc2)ccc1N1CCOCC1
InChIInChI=1S/C17H19ClN2O2/c18-14-4-1-12(2-5-14)17(21)13-3-6-16(15(19)11-13)20-7-9-22-10-8-20/h1-6,11,17,21H,7-10,19H2/t17-/m0/s1
InChIKeyIPMNVEMTQJYOFH-KRWDZBQOSA-N
XLogP2.84
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol?
The IUPAC name of (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol (CID 27261608) is (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol?
The canonical SMILES for (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol is Nc1cc([C@@H](O)c2ccc(Cl)cc2)ccc1N1CCOCC1.
What is the InChIKey of (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol?
The InChIKey is IPMNVEMTQJYOFH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-14-4-1-12(2-5-14)17(21)13-3-6-16(15(19)11-13)20-7-9-22-10-8-20/h1-6,11,17,21H,7-10,19H2/t17-/m0/s1.
What are the key properties of (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol?
(S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol has a molecular weight of 318.80 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-amino-4-morpholin-4-ylphenyl)-(4-chlorophenyl)methanol is sourced from PubChem (CID 27261608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).