4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine

C21H25ClFNO3 — CID 170870456

IUPAC4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
SMILESCOc1cccc(CCCN2CCOCC2)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C21H25ClFNO3/c1-25-20-9-2-5-16(6-4-10-24-11-13-26-14-12-24)21(20)27-15-17-18(22)7-3-8-19(17)23/h2-3,5,7-9H,4,6,10-15H2,1H3
InChIKeyMTHFICMHSKTCPQ-UHFFFAOYSA-N
MW393.89 g/mol
LogP4.33
Rot. Bonds8

About 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine

4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine (PubChem CID 170870456) has the molecular formula C21H25ClFNO3 and a molecular weight of 393.89 g/mol. Its IUPAC name is 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
PubChem CID170870456
Molecular FormulaC21H25ClFNO3
Molecular Weight393.89 g/mol
Exact Mass393.15
IUPAC Name4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
SMILESCOc1cccc(CCCN2CCOCC2)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C21H25ClFNO3/c1-25-20-9-2-5-16(6-4-10-24-11-13-26-14-12-24)21(20)27-15-17-18(22)7-3-8-19(17)23/h2-3,5,7-9H,4,6,10-15H2,1H3
InChIKeyMTHFICMHSKTCPQ-UHFFFAOYSA-N
XLogP4.33
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870445
3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866459
4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
CID 170870431
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537734
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722023
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289346
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538125
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
4-[3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870417

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine (CID 170870456) is 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine is COc1cccc(CCCN2CCOCC2)c1OCc1c(F)cccc1Cl.
What is the InChIKey of 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
The InChIKey is MTHFICMHSKTCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFNO3/c1-25-20-9-2-5-16(6-4-10-24-11-13-26-14-12-24)21(20)27-15-17-18(22)7-3-8-19(17)23/h2-3,5,7-9H,4,6,10-15H2,1H3.
What are the key properties of 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine has a molecular weight of 393.89 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine is sourced from PubChem (CID 170870456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).