4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine

C17H27NO2 — CID 170869682

IUPAC4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
SMILESCOc1ccc(C(C)C)cc1CCCN1CCOCC1
InChIInChI=1S/C17H27NO2/c1-14(2)15-6-7-17(19-3)16(13-15)5-4-8-18-9-11-20-12-10-18/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyKCSXWCHLZSRJIX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.08
Rot. Bonds6

About 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine

4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine (PubChem CID 170869682) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
PubChem CID170869682
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
SMILESCOc1ccc(C(C)C)cc1CCCN1CCOCC1
InChIInChI=1S/C17H27NO2/c1-14(2)15-6-7-17(19-3)16(13-15)5-4-8-18-9-11-20-12-10-18/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyKCSXWCHLZSRJIX-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine
CID 170870505
4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine
CID 170870671
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
2-methoxy-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110761441
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
CID 170869897
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine (CID 170869682) is 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine is COc1ccc(C(C)C)cc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine?
The InChIKey is KCSXWCHLZSRJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(2)15-6-7-17(19-3)16(13-15)5-4-8-18-9-11-20-12-10-18/h6-7,13-14H,4-5,8-12H2,1-3H3.
What are the key properties of 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine?
4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine is sourced from PubChem (CID 170869682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).