N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

C15H16ClFN2 — CID 71223978

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccccn1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2/c1-2-19(10-12-6-3-4-9-18-12)11-13-14(16)7-5-8-15(13)17/h3-9H,2,10-11H2,1H3
InChIKeyCJWPKKDCICGWNC-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.90
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 71223978) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID71223978
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccccn1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2/c1-2-19(10-12-6-3-4-9-18-12)11-13-14(16)7-5-8-15(13)17/h3-9H,2,10-11H2,1H3
InChIKeyCJWPKKDCICGWNC-UHFFFAOYSA-N
XLogP3.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (CID 71223978) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is CCN(Cc1ccccn1)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is CJWPKKDCICGWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-2-19(10-12-6-3-4-9-18-12)11-13-14(16)7-5-8-15(13)17/h3-9H,2,10-11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 278.76 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 71223978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).