4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine

C17H27NO2 — CID 1363274

IUPAC4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine
SMILESCc1ccc(O[C@H](C)CC[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C17H27NO2/c1-14-4-8-17(9-5-14)20-16(3)7-6-15(2)18-10-12-19-13-11-18/h4-5,8-9,15-16H,6-7,10-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyGJFRILIBKQXQBC-JKSUJKDBSA-N
MW277.41 g/mol
LogP3.26
Rot. Bonds6

About 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine

4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine (PubChem CID 1363274) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine
PubChem CID1363274
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine
SMILESCc1ccc(O[C@H](C)CC[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C17H27NO2/c1-14-4-8-17(9-5-14)20-16(3)7-6-15(2)18-10-12-19-13-11-18/h4-5,8-9,15-16H,6-7,10-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyGJFRILIBKQXQBC-JKSUJKDBSA-N
XLogP3.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
CID 143833538
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
4-methyl-2-(3-morpholin-4-ylbutoxy)aniline
CID 82037237
4-[1-(4-bromophenoxy)ethyl]morpholine
CID 18446587
4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine
CID 42867915
4-[1-(2-methoxy-5-methylphenyl)propan-2-yl]morpholine;hydrochloride
CID 3063666
1-ethyl-3-[2-(4-methoxyphenoxy)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111787870
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)propanamide
CID 51283112
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
5-methyl-2-(2-morpholin-4-ylpropyl)benzenethiol
CID 175441956
4-(4-methylphenoxy)pentanoic acid
CID 62214144
4-(3-morpholin-4-ylbutyl)phenol
CID 2846721

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine?
The IUPAC name of 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine (CID 1363274) is 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine.
What is the SMILES notation for 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine?
The canonical SMILES for 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine is Cc1ccc(O[C@H](C)CC[C@H](C)N2CCOCC2)cc1.
What is the InChIKey of 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine?
The InChIKey is GJFRILIBKQXQBC-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-4-8-17(9-5-14)20-16(3)7-6-15(2)18-10-12-19-13-11-18/h4-5,8-9,15-16H,6-7,10-13H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine?
4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine is sourced from PubChem (CID 1363274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).