N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine

C16H18ClFN2O — CID 50970717

IUPACN-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCOc1ccc(F)c(CN(C)C(C)c2ccncc2)c1Cl
InChIInChI=1S/C16H18ClFN2O/c1-11(12-6-8-19-9-7-12)20(2)10-13-14(18)4-5-15(21-3)16(13)17/h4-9,11H,10H2,1-3H3
InChIKeyLGXAVCRMYDAWLP-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.08
Rot. Bonds5

About N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine

N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine (PubChem CID 50970717) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine
PubChem CID50970717
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCOc1ccc(F)c(CN(C)C(C)c2ccncc2)c1Cl
InChIInChI=1S/C16H18ClFN2O/c1-11(12-6-8-19-9-7-12)20(2)10-13-14(18)4-5-15(21-3)16(13)17/h4-9,11H,10H2,1-3H3
InChIKeyLGXAVCRMYDAWLP-UHFFFAOYSA-N
XLogP4.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine (CID 50970717) is N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine is COc1ccc(F)c(CN(C)C(C)c2ccncc2)c1Cl.
What is the InChIKey of N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
The InChIKey is LGXAVCRMYDAWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-11(12-6-8-19-9-7-12)20(2)10-13-14(18)4-5-15(21-3)16(13)17/h4-9,11H,10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine has a molecular weight of 308.78 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 50970717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).