4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine

C21H29NO5 — CID 170870605

IUPAC4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine
SMILESCOc1cc2cc(OC)c(OC)c(CCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C21H29NO5/c1-23-18-12-15-13-20(25-3)21(26-4)16(17(15)14-19(18)24-2)6-5-7-22-8-10-27-11-9-22/h12-14H,5-11H2,1-4H3
InChIKeyCYNUGSLEOQLHFX-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.14
Rot. Bonds8

About 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine

4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine (PubChem CID 170870605) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine
PubChem CID170870605
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine
SMILESCOc1cc2cc(OC)c(OC)c(CCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C21H29NO5/c1-23-18-12-15-13-20(25-3)21(26-4)16(17(15)14-19(18)24-2)6-5-7-22-8-10-27-11-9-22/h12-14H,5-11H2,1-4H3
InChIKeyCYNUGSLEOQLHFX-UHFFFAOYSA-N
XLogP3.14
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine
CID 170870300
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
CID 170869682
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
6-methoxy-3-(3-morpholin-4-ylpropyl)-2,4-dinitrophenol
CID 170869412
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine (CID 170870605) is 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine is COc1cc2cc(OC)c(OC)c(CCCN3CCOCC3)c2cc1OC.
What is the InChIKey of 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine?
The InChIKey is CYNUGSLEOQLHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO5/c1-23-18-12-15-13-20(25-3)21(26-4)16(17(15)14-19(18)24-2)6-5-7-22-8-10-27-11-9-22/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine?
4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine has a molecular weight of 375.47 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine is sourced from PubChem (CID 170870605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).