N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine

C15H21ClN4O — CID 46998311

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1cc(Cl)ccc1OC)Cc1ncnn1CC
InChIInChI=1S/C15H21ClN4O/c1-4-19(10-15-17-11-18-20(15)5-2)9-12-8-13(16)6-7-14(12)21-3/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyVNWOJXPCJBDJFF-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.98
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 46998311) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID46998311
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1cc(Cl)ccc1OC)Cc1ncnn1CC
InChIInChI=1S/C15H21ClN4O/c1-4-19(10-15-17-11-18-20(15)5-2)9-12-8-13(16)6-7-14(12)21-3/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyVNWOJXPCJBDJFF-UHFFFAOYSA-N
XLogP2.98
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 46998311) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCN(Cc1cc(Cl)ccc1OC)Cc1ncnn1CC.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is VNWOJXPCJBDJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-4-19(10-15-17-11-18-20(15)5-2)9-12-8-13(16)6-7-14(12)21-3/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 308.81 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 46998311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).