1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine

C22H30N2O4 — CID 17418891

IUPAC1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(CN3CCOCC3)cc2)c(OC)c1OC
InChIInChI=1S/C22H30N2O4/c1-25-20-9-8-19(21(26-2)22(20)27-3)15-23-14-17-4-6-18(7-5-17)16-24-10-12-28-13-11-24/h4-9,23H,10-16H2,1-3H3
InChIKeyFKKGDWZBURRZHX-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.83
Rot. Bonds9

About 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine

1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine (PubChem CID 17418891) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
PubChem CID17418891
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(CN3CCOCC3)cc2)c(OC)c1OC
InChIInChI=1S/C22H30N2O4/c1-25-20-9-8-19(21(26-2)22(20)27-3)15-23-14-17-4-6-18(7-5-17)16-24-10-12-28-13-11-24/h4-9,23H,10-16H2,1-3H3
InChIKeyFKKGDWZBURRZHX-UHFFFAOYSA-N
XLogP2.83
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 86843039
3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
CID 6457021
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809930
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110
N-methoxy-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 117345350
N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809922
N-[[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylbutan-1-amine
CID 84746179
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine (CID 17418891) is 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine is COc1ccc(CNCc2ccc(CN3CCOCC3)cc2)c(OC)c1OC.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The InChIKey is FKKGDWZBURRZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-25-20-9-8-19(21(26-2)22(20)27-3)15-23-14-17-4-6-18(7-5-17)16-24-10-12-28-13-11-24/h4-9,23H,10-16H2,1-3H3.
What are the key properties of 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine has a molecular weight of 386.49 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 17418891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).