3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine

C13H16Cl2N4 — CID 44540616

IUPAC3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)n1nccn1
InChIInChI=1S/C13H16Cl2N4/c1-18(2)8-5-13(19-16-6-7-17-19)10-3-4-11(14)12(15)9-10/h3-4,6-7,9,13H,5,8H2,1-2H3
InChIKeyLPKGSGBIJZZVOA-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.13
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine (PubChem CID 44540616) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine
PubChem CID44540616
Molecular FormulaC13H16Cl2N4
Molecular Weight299.21 g/mol
Exact Mass298.08
IUPAC Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)n1nccn1
InChIInChI=1S/C13H16Cl2N4/c1-18(2)8-5-13(19-16-6-7-17-19)10-3-4-11(14)12(15)9-10/h3-4,6-7,9,13H,5,8H2,1-2H3
InChIKeyLPKGSGBIJZZVOA-UHFFFAOYSA-N
XLogP3.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
2-(3,4-dichlorophenyl)-4-(dimethylamino)butanenitrile
CID 82089128
3-(3,4-dichlorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259260
3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 72949692
2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine
CID 54766010
N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine
CID 44540516
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
(3R)-3-(benzotriazol-2-yl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 66677303
1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine
CID 90038122
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol
CID 44537014
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine (CID 44540616) is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine is CN(C)CCC(c1ccc(Cl)c(Cl)c1)n1nccn1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine?
The InChIKey is LPKGSGBIJZZVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4/c1-18(2)8-5-13(19-16-6-7-17-19)10-3-4-11(14)12(15)9-10/h3-4,6-7,9,13H,5,8H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine?
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine has a molecular weight of 299.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine is sourced from PubChem (CID 44540616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).