N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

C16H22ClN3O — CID 46999917

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1cc(Cl)ccc1OC)Cc1cc(C)nn1C
InChIInChI=1S/C16H22ClN3O/c1-5-20(11-15-8-12(2)18-19(15)3)10-13-9-14(17)6-7-16(13)21-4/h6-9H,5,10-11H2,1-4H3
InChIKeyVQZOKWOZPVFTHL-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.41
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 46999917) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
PubChem CID46999917
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1cc(Cl)ccc1OC)Cc1cc(C)nn1C
InChIInChI=1S/C16H22ClN3O/c1-5-20(11-15-8-12(2)18-19(15)3)10-13-9-14(17)6-7-16(13)21-4/h6-9H,5,10-11H2,1-4H3
InChIKeyVQZOKWOZPVFTHL-UHFFFAOYSA-N
XLogP3.41
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (CID 46999917) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is CCN(Cc1cc(Cl)ccc1OC)Cc1cc(C)nn1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is VQZOKWOZPVFTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-5-20(11-15-8-12(2)18-19(15)3)10-13-9-14(17)6-7-16(13)21-4/h6-9H,5,10-11H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 307.83 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 46999917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).