1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine

C14H18Cl2N4 — CID 166343900

IUPAC1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CN(C)Cc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C14H18Cl2N4/c1-3-4-20-10-14(17-18-20)9-19(2)8-11-5-12(15)7-13(16)6-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyKYVONOGUNDJZTP-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.63
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine

1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine (PubChem CID 166343900) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine
PubChem CID166343900
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CN(C)Cc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C14H18Cl2N4/c1-3-4-20-10-14(17-18-20)9-19(2)8-11-5-12(15)7-13(16)6-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyKYVONOGUNDJZTP-UHFFFAOYSA-N
XLogP3.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine (CID 166343900) is 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine is CCCn1cc(CN(C)Cc2cc(Cl)cc(Cl)c2)nn1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine?
The InChIKey is KYVONOGUNDJZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4/c1-3-4-20-10-14(17-18-20)9-19(2)8-11-5-12(15)7-13(16)6-11/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine?
1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine has a molecular weight of 313.23 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 166343900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).