2-(4-ethylphenyl)-6-pentan-3-ylmorpholine

C17H27NO — CID 106288427

IUPAC2-(4-ethylphenyl)-6-pentan-3-ylmorpholine
SMILESCCc1ccc(C2CNCC(C(CC)CC)O2)cc1
InChIInChI=1S/C17H27NO/c1-4-13-7-9-15(10-8-13)17-12-18-11-16(19-17)14(5-2)6-3/h7-10,14,16-18H,4-6,11-12H2,1-3H3
InChIKeySQDMEHXNSKPLBP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine

2-(4-ethylphenyl)-6-pentan-3-ylmorpholine (PubChem CID 106288427) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-pentan-3-ylmorpholine
PubChem CID106288427
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(4-ethylphenyl)-6-pentan-3-ylmorpholine
SMILESCCc1ccc(C2CNCC(C(CC)CC)O2)cc1
InChIInChI=1S/C17H27NO/c1-4-13-7-9-15(10-8-13)17-12-18-11-16(19-17)14(5-2)6-3/h7-10,14,16-18H,4-6,11-12H2,1-3H3
InChIKeySQDMEHXNSKPLBP-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine
CID 106288333
2-(4-ethylphenyl)-6-propylmorpholine
CID 113496205
2-(4-bromothiophen-2-yl)-6-pentan-3-ylmorpholine
CID 114168847
2-(4-ethylphenyl)oxirane
CID 10374595
(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane
CID 22838647
6-(4-ethylphenyl)-2-methyl-2-(2-methylpropyl)morpholine
CID 66181122
(3S,4S)-3-(4-ethylphenyl)-4-(fluoromethyl)pyrrolidine
CID 129493276
2-(4-cyclopropylphenyl)-6-ethylmorpholine
CID 79978379
2,6-diphenylmorpholine
CID 43381979
(3S,4S)-4-(4-ethylphenyl)pyrrolidine-3-carbonitrile
CID 129415806
2-[4-(difluoromethyl)phenyl]-6-methylmorpholine
CID 115525669
5-(4-ethylphenyl)oxolane-2-carbaldehyde
CID 130584532

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine?
The IUPAC name of 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine (CID 106288427) is 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine.
What is the SMILES notation for 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine?
The canonical SMILES for 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine is CCc1ccc(C2CNCC(C(CC)CC)O2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine?
The InChIKey is SQDMEHXNSKPLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-13-7-9-15(10-8-13)17-12-18-11-16(19-17)14(5-2)6-3/h7-10,14,16-18H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine?
2-(4-ethylphenyl)-6-pentan-3-ylmorpholine has a molecular weight of 261.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-pentan-3-ylmorpholine is sourced from PubChem (CID 106288427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).