[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol

C14H20ClNO2 — CID 170360142

IUPAC[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol
SMILESCCN1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-2-16-8-14(9-17)18-10-13(16)7-11-3-5-12(15)6-4-11/h3-6,13-14,17H,2,7-10H2,1H3/t13-,14+/m0/s1
InChIKeyDNBQQKKGNUSZEM-UONOGXRCSA-N
MW269.77 g/mol
LogP1.96
Rot. Bonds4

About [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol

[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol (PubChem CID 170360142) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol
PubChem CID170360142
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol
SMILESCCN1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-2-16-8-14(9-17)18-10-13(16)7-11-3-5-12(15)6-4-11/h3-6,13-14,17H,2,7-10H2,1H3/t13-,14+/m0/s1
InChIKeyDNBQQKKGNUSZEM-UONOGXRCSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol (CID 170360142) is [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol is CCN1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol?
The InChIKey is DNBQQKKGNUSZEM-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-16-8-14(9-17)18-10-13(16)7-11-3-5-12(15)6-4-11/h3-6,13-14,17H,2,7-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol?
[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol has a molecular weight of 269.77 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol is sourced from PubChem (CID 170360142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).