(2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol

C19H20Cl2N4O — CID 124826754

IUPAC(2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1
InChIInChI=1S/C19H20Cl2N4O/c1-13(26)10-22-11-18-19(15-5-3-2-4-6-15)24-25(23-18)12-14-7-8-16(20)17(21)9-14/h2-9,13,22,26H,10-12H2,1H3/t13-/m0/s1
InChIKeyUYNJDGQMQHNMMW-ZDUSSCGKSA-N
MW391.30 g/mol
LogP3.77
Rot. Bonds7

About (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol

(2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol (PubChem CID 124826754) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
PubChem CID124826754
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name(2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1
InChIInChI=1S/C19H20Cl2N4O/c1-13(26)10-22-11-18-19(15-5-3-2-4-6-15)24-25(23-18)12-14-7-8-16(20)17(21)9-14/h2-9,13,22,26H,10-12H2,1H3/t13-/m0/s1
InChIKeyUYNJDGQMQHNMMW-ZDUSSCGKSA-N
XLogP3.77
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
(1R)-2-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-1-phenylethanol
CID 124786663
(2S)-1-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124801639
(2S)-1-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124826116
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
4-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787503
(1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol
CID 124785919
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
(1S)-N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylbutan-1-amine
CID 124823834
(1R)-1-(1-adamantyl)-N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124823977
N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methanamine
CID 125114678
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol (CID 124826754) is (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol is C[C@H](O)CNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1.
What is the InChIKey of (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol?
The InChIKey is UYNJDGQMQHNMMW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20Cl2N4O/c1-13(26)10-22-11-18-19(15-5-3-2-4-6-15)24-25(23-18)12-14-7-8-16(20)17(21)9-14/h2-9,13,22,26H,10-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol?
(2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol has a molecular weight of 391.30 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 124826754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).