1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

C15H16ClFN2 — CID 82994274

IUPAC1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C15H16ClFN2/c1-10-4-3-5-13(19-10)9-18-11(2)12-6-7-14(16)15(17)8-12/h3-8,11,18H,9H2,1-2H3
InChIKeyXMTDVKCLLGDJKL-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 82994274) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID82994274
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C15H16ClFN2/c1-10-4-3-5-13(19-10)9-18-11(2)12-6-7-14(16)15(17)8-12/h3-8,11,18H,9H2,1-2H3
InChIKeyXMTDVKCLLGDJKL-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81347820
N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 62321260
1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 82889677
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine
CID 83069464
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
CID 83059630
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
N-[1-(4-chloro-3-fluorophenyl)ethyl]but-3-en-1-amine
CID 115901843
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (CID 82994274) is 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is Cc1cccc(CNC(C)c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is XMTDVKCLLGDJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-4-3-5-13(19-10)9-18-11(2)12-6-7-14(16)15(17)8-12/h3-8,11,18H,9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 278.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82994274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).