1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

C14H18Cl2N4O — CID 122134020

IUPAC1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCOCCC(NCc1nncn1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N4O/c1-20-9-18-19-14(20)8-17-13(5-6-21-2)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,17H,5-6,8H2,1-2H3
InChIKeyPXFOOTLPIRTDIZ-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.99
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (PubChem CID 122134020) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
PubChem CID122134020
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCOCCC(NCc1nncn1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N4O/c1-20-9-18-19-14(20)8-17-13(5-6-21-2)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,17H,5-6,8H2,1-2H3
InChIKeyPXFOOTLPIRTDIZ-UHFFFAOYSA-N
XLogP2.99
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509
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CID 62543484
2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
CID 54895413
5-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 107706212
N,N-dimethyl-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]aniline
CID 54895563
3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484515
1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62118821
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
4-[[1-(3,4-dichlorophenyl)-3-methoxypropyl]amino]cyclohexane-1-carboxylic acid
CID 122034062
1-(2-methoxy-5-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895459
methyl 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]hexanoate
CID 103248619
4-[[1-(3,4-dichlorophenyl)-3-methoxypropyl]carbamoylamino]butanoic acid
CID 122013713

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (CID 122134020) is 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is COCCC(NCc1nncn1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The InChIKey is PXFOOTLPIRTDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4O/c1-20-9-18-19-14(20)8-17-13(5-6-21-2)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,17H,5-6,8H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine has a molecular weight of 329.23 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 122134020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).