2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol

C20H22Cl2N4O — CID 124822569

IUPAC2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C20H22Cl2N4O/c1-20(2,13-27)23-11-18-19(14-7-4-3-5-8-14)25-26(24-18)12-15-16(21)9-6-10-17(15)22/h3-10,23,27H,11-13H2,1-2H3
InChIKeyUQVOQFNQWRVHKB-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.16
Rot. Bonds7

About 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol

2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol (PubChem CID 124822569) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
PubChem CID124822569
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C20H22Cl2N4O/c1-20(2,13-27)23-11-18-19(14-7-4-3-5-8-14)25-26(24-18)12-15-16(21)9-6-10-17(15)22/h3-10,23,27H,11-13H2,1-2H3
InChIKeyUQVOQFNQWRVHKB-UHFFFAOYSA-N
XLogP4.16
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol with MolForge

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Related Compounds

2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 124821107
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124825962
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124810179
(2R)-2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124822746
(2S)-1-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124826116
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3-methoxypropan-1-amine
CID 124797378
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783157
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]butan-1-amine
CID 124825154
2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124818737
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-methylpropan-2-amine
CID 124825153
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
(2S)-2-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821957

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol (CID 124822569) is 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1.
What is the InChIKey of 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol?
The InChIKey is UQVOQFNQWRVHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c1-20(2,13-27)23-11-18-19(14-7-4-3-5-8-14)25-26(24-18)12-15-16(21)9-6-10-17(15)22/h3-10,23,27H,11-13H2,1-2H3.
What are the key properties of 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol?
2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol has a molecular weight of 405.33 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 124822569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).