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

C21H28N2O — CID 78809922

IUPACN-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCc1cccc(CNCc2ccc(CN3CCOCC3)cc2)c1C
InChIInChI=1S/C21H28N2O/c1-17-4-3-5-21(18(17)2)15-22-14-19-6-8-20(9-7-19)16-23-10-12-24-13-11-23/h3-9,22H,10-16H2,1-2H3
InChIKeyWTUIZAYLDQGRJR-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.43
Rot. Bonds6

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

N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 78809922) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
PubChem CID78809922
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCc1cccc(CNCc2ccc(CN3CCOCC3)cc2)c1C
InChIInChI=1S/C21H28N2O/c1-17-4-3-5-21(18(17)2)15-22-14-19-6-8-20(9-7-19)16-23-10-12-24-13-11-23/h3-9,22H,10-16H2,1-2H3
InChIKeyWTUIZAYLDQGRJR-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809807
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 86843039
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809930
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809733
N-methoxy-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 117345350
(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 164634851
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
1-(2,3-dimethylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]methanamine
CID 86843080

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine (CID 78809922) is N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine is Cc1cccc(CNCc2ccc(CN3CCOCC3)cc2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
The InChIKey is WTUIZAYLDQGRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-4-3-5-21(18(17)2)15-22-14-19-6-8-20(9-7-19)16-23-10-12-24-13-11-23/h3-9,22H,10-16H2,1-2H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine?
N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 324.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 78809922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).