4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine

C25H35NO3 — CID 170870228

IUPAC4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine
SMILESCOc1ccc(CCCN2CCOCC2)cc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H35NO3/c1-25(2,3)22-8-10-23(11-9-22)29-19-21-18-20(7-12-24(21)27-4)6-5-13-26-14-16-28-17-15-26/h7-12,18H,5-6,13-17,19H2,1-4H3
InChIKeySVEZBVIMJNSLEM-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.84
Rot. Bonds8

About 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine

4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine (PubChem CID 170870228) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine
PubChem CID170870228
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine
SMILESCOc1ccc(CCCN2CCOCC2)cc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H35NO3/c1-25(2,3)22-8-10-23(11-9-22)29-19-21-18-20(7-12-24(21)27-4)6-5-13-26-14-16-28-17-15-26/h7-12,18H,5-6,13-17,19H2,1-4H3
InChIKeySVEZBVIMJNSLEM-UHFFFAOYSA-N
XLogP4.84
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]propyl]morpholine
CID 170870358
1-[3-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]propyl]-4-methylpiperazine
CID 170863483

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine (CID 170870228) is 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine is COc1ccc(CCCN2CCOCC2)cc1COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine?
The InChIKey is SVEZBVIMJNSLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-25(2,3)22-8-10-23(11-9-22)29-19-21-18-20(7-12-24(21)27-4)6-5-13-26-14-16-28-17-15-26/h7-12,18H,5-6,13-17,19H2,1-4H3.
What are the key properties of 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine?
4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine has a molecular weight of 397.56 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine is sourced from PubChem (CID 170870228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).