(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine

C17H18ClNO — CID 169042690

IUPAC(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
SMILESClc1ccc(C[C@H]2COC(c3ccccc3)CN2)cc1
InChIInChI=1S/C17H18ClNO/c18-15-8-6-13(7-9-15)10-16-12-20-17(11-19-16)14-4-2-1-3-5-14/h1-9,16-17,19H,10-12H2/t16-,17?/m0/s1
InChIKeyQVTLVRLQSOWJEB-BHWOMJMDSA-N
MW287.79 g/mol
LogP3.61
Rot. Bonds3

About (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine

(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine (PubChem CID 169042690) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
PubChem CID169042690
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
SMILESClc1ccc(C[C@H]2COC(c3ccccc3)CN2)cc1
InChIInChI=1S/C17H18ClNO/c18-15-8-6-13(7-9-15)10-16-12-20-17(11-19-16)14-4-2-1-3-5-14/h1-9,16-17,19H,10-12H2/t16-,17?/m0/s1
InChIKeyQVTLVRLQSOWJEB-BHWOMJMDSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine?
The IUPAC name of (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine (CID 169042690) is (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine.
What is the SMILES notation for (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine?
The canonical SMILES for (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine is Clc1ccc(C[C@H]2COC(c3ccccc3)CN2)cc1.
What is the InChIKey of (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine?
The InChIKey is QVTLVRLQSOWJEB-BHWOMJMDSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-15-8-6-13(7-9-15)10-16-12-20-17(11-19-16)14-4-2-1-3-5-14/h1-9,16-17,19H,10-12H2/t16-,17?/m0/s1.
What are the key properties of (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine?
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine has a molecular weight of 287.79 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine is sourced from PubChem (CID 169042690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).