N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine

C23H29N5O — CID 125114302

IUPACN-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1ccccc1Cn1nc(CNCCN2CCOCC2)c(-c2ccccc2)n1
InChIInChI=1S/C23H29N5O/c1-19-7-5-6-10-21(19)18-28-25-22(23(26-28)20-8-3-2-4-9-20)17-24-11-12-27-13-15-29-16-14-27/h2-10,24H,11-18H2,1H3
InChIKeyGILOVWCFBLBIAN-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.72
Rot. Bonds8

About N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine

N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 125114302) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID125114302
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1ccccc1Cn1nc(CNCCN2CCOCC2)c(-c2ccccc2)n1
InChIInChI=1S/C23H29N5O/c1-19-7-5-6-10-21(19)18-28-25-22(23(26-28)20-8-3-2-4-9-20)17-24-11-12-27-13-15-29-16-14-27/h2-10,24H,11-18H2,1H3
InChIKeyGILOVWCFBLBIAN-UHFFFAOYSA-N
XLogP2.72
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 125114304
N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 125114723
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124818737
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
5-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
CID 13218688
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 125114903
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222862
2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine (CID 125114302) is N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine is Cc1ccccc1Cn1nc(CNCCN2CCOCC2)c(-c2ccccc2)n1.
What is the InChIKey of N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is GILOVWCFBLBIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-19-7-5-6-10-21(19)18-28-25-22(23(26-28)20-8-3-2-4-9-20)17-24-11-12-27-13-15-29-16-14-27/h2-10,24H,11-18H2,1H3.
What are the key properties of N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 391.52 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 125114302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).