N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine

C15H16ClFN2 — CID 115804806

IUPACN-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(F)c1)c1cccc(C)c1Cl
InChIInChI=1S/C15H16ClFN2/c1-3-19-15(11-7-12(17)9-18-8-11)13-6-4-5-10(2)14(13)16/h4-9,15,19H,3H2,1-2H3
InChIKeyOLMPPGPILXTBQE-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.88
Rot. Bonds4

About N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine

N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine (PubChem CID 115804806) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
PubChem CID115804806
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC NameN-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(F)c1)c1cccc(C)c1Cl
InChIInChI=1S/C15H16ClFN2/c1-3-19-15(11-7-12(17)9-18-8-11)13-6-4-5-10(2)14(13)16/h4-9,15,19H,3H2,1-2H3
InChIKeyOLMPPGPILXTBQE-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288165
N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 54967436
N-[(5-fluoro-3-pyridinyl)-phenylmethyl]ethanamine
CID 54967779
N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006456
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816038
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792936
N-[(2-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113297207
N-[(2-bromo-3,4-difluorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 107539207
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025837
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(5-fluoro-2-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105176637

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine (CID 115804806) is N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(F)c1)c1cccc(C)c1Cl.
What is the InChIKey of N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The InChIKey is OLMPPGPILXTBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-3-19-15(11-7-12(17)9-18-8-11)13-6-4-5-10(2)14(13)16/h4-9,15,19H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine has a molecular weight of 278.76 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115804806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).