2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine

C26H35ClN2O2 — CID 174270485

IUPAC2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine
SMILESCc1cc(C)c(C)c(CN2CCOC(Cc3cc(Cl)cc(CN4CCOCC4)c3)C2)c1
InChIInChI=1S/C26H35ClN2O2/c1-19-10-20(2)21(3)24(11-19)17-29-6-9-31-26(18-29)15-22-12-23(14-25(27)13-22)16-28-4-7-30-8-5-28/h10-14,26H,4-9,15-18H2,1-3H3
InChIKeyUWKZFGYUKIVZID-UHFFFAOYSA-N
MW443.03 g/mol
LogP4.54
Rot. Bonds6

About 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine

2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine (PubChem CID 174270485) has the molecular formula C26H35ClN2O2 and a molecular weight of 443.03 g/mol. Its IUPAC name is 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine
PubChem CID174270485
Molecular FormulaC26H35ClN2O2
Molecular Weight443.03 g/mol
Exact Mass442.24
IUPAC Name2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine
SMILESCc1cc(C)c(C)c(CN2CCOC(Cc3cc(Cl)cc(CN4CCOCC4)c3)C2)c1
InChIInChI=1S/C26H35ClN2O2/c1-19-10-20(2)21(3)24(11-19)17-29-6-9-31-26(18-29)15-22-12-23(14-25(27)13-22)16-28-4-7-30-8-5-28/h10-14,26H,4-9,15-18H2,1-3H3
InChIKeyUWKZFGYUKIVZID-UHFFFAOYSA-N
XLogP4.54
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.03
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine with MolForge

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Related Compounds

2-[4-[(3-chloro-5-fluorophenyl)methyl]morpholin-2-yl]ethanol
CID 77087045
[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
CID 67073026
2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine
CID 123412712
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
5-cyclopropyl-4-[[2-[(3,5-dichlorophenyl)methyl]morpholin-4-yl]methyl]-2-fluoro-N'-hydroxy-N'-methylsulfanylbenzohydrazide
CID 144850240
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
CID 66663131
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine?
The IUPAC name of 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine (CID 174270485) is 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine.
What is the SMILES notation for 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine?
The canonical SMILES for 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine is Cc1cc(C)c(C)c(CN2CCOC(Cc3cc(Cl)cc(CN4CCOCC4)c3)C2)c1.
What is the InChIKey of 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine?
The InChIKey is UWKZFGYUKIVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN2O2/c1-19-10-20(2)21(3)24(11-19)17-29-6-9-31-26(18-29)15-22-12-23(14-25(27)13-22)16-28-4-7-30-8-5-28/h10-14,26H,4-9,15-18H2,1-3H3.
What are the key properties of 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine?
2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine has a molecular weight of 443.03 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(morpholin-4-ylmethyl)phenyl]methyl]-4-[(2,3,5-trimethylphenyl)methyl]morpholine is sourced from PubChem (CID 174270485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).