1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine

C15H20Cl2N4 — CID 107048898

IUPAC1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)Cc1cn(C)nn1
InChIInChI=1S/C15H20Cl2N4/c1-3-6-18-12(9-13-10-21(2)20-19-13)7-11-4-5-14(16)15(17)8-11/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3
InChIKeyZNIPDVHRRUPJNL-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.28
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine

1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine (PubChem CID 107048898) has the molecular formula C15H20Cl2N4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
PubChem CID107048898
Molecular FormulaC15H20Cl2N4
Molecular Weight327.26 g/mol
Exact Mass326.11
IUPAC Name1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)Cc1cn(C)nn1
InChIInChI=1S/C15H20Cl2N4/c1-3-6-18-12(9-13-10-21(2)20-19-13)7-11-4-5-14(16)15(17)8-11/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3
InChIKeyZNIPDVHRRUPJNL-UHFFFAOYSA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323
1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
N-ethyl-1-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048839
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064044
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050517
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649
1-tert-butylsulfanyl-3-(3,4-dichlorophenyl)-N-propylpropan-2-amine
CID 65132522
N-[1-(5-chlorofuran-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064238
1-(3-chloro-4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 103039837
4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107051391
[1-(3,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066319

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine (CID 107048898) is 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)Cc1cn(C)nn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
The InChIKey is ZNIPDVHRRUPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4/c1-3-6-18-12(9-13-10-21(2)20-19-13)7-11-4-5-14(16)15(17)8-11/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine has a molecular weight of 327.26 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 107048898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).