N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine

C21H28N2O3 — CID 78809737

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCOc1ccc(OC)c(CNCc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C21H28N2O3/c1-24-20-7-8-21(25-2)19(13-20)15-22-14-17-3-5-18(6-4-17)16-23-9-11-26-12-10-23/h3-8,13,22H,9-12,14-16H2,1-2H3
InChIKeyTZRZKZVRYXHJOE-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.83
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine

N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 78809737) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
PubChem CID78809737
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCOc1ccc(OC)c(CNCc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C21H28N2O3/c1-24-20-7-8-21(25-2)19(13-20)15-22-14-17-3-5-18(6-4-17)16-23-9-11-26-12-10-23/h3-8,13,22H,9-12,14-16H2,1-2H3
InChIKeyTZRZKZVRYXHJOE-UHFFFAOYSA-N
XLogP2.83
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809930
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096
N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 51119412
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051072
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 86843039
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625014
2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216059
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446019

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine (CID 78809737) is N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine is COc1ccc(OC)c(CNCc2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The InChIKey is TZRZKZVRYXHJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-24-20-7-8-21(25-2)19(13-20)15-22-14-17-3-5-18(6-4-17)16-23-9-11-26-12-10-23/h3-8,13,22H,9-12,14-16H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 356.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 78809737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).