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

C15H16ClFN2 — CID 115901861

IUPAC1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccncc1CNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H16ClFN2/c1-10-5-6-18-8-12(10)9-19-11(2)14-4-3-13(17)7-15(14)16/h3-8,11,19H,9H2,1-2H3
InChIKeyHLMNHYPBGOXIPI-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.03
Rot. Bonds4

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

1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 115901861) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID115901861
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccncc1CNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C15H16ClFN2/c1-10-5-6-18-8-12(10)9-19-11(2)14-4-3-13(17)7-15(14)16/h3-8,11,19H,9H2,1-2H3
InChIKeyHLMNHYPBGOXIPI-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

1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913072
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
1-(2-chloro-4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63301995
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
N-[(2-bromo-4-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43095873
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 82774821
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102615860
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43768143

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine (CID 115901861) is 1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine is Cc1ccncc1CNC(C)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is HLMNHYPBGOXIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-5-6-18-8-12(10)9-19-11(2)14-4-3-13(17)7-15(14)16/h3-8,11,19H,9H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine?
1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-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-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115901861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).