N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine

C17H21FN2 — CID 115994436

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCc1cccnc1CNC(CC)c1ccccc1F
InChIInChI=1S/C17H21FN2/c1-3-13-8-7-11-19-17(13)12-20-16(4-2)14-9-5-6-10-15(14)18/h5-11,16,20H,3-4,12H2,1-2H3
InChIKeyCMUDTIJVDWZYIH-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.02
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine

N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine (PubChem CID 115994436) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
PubChem CID115994436
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCc1cccnc1CNC(CC)c1ccccc1F
InChIInChI=1S/C17H21FN2/c1-3-13-8-7-11-19-17(13)12-20-16(4-2)14-9-5-6-10-15(14)18/h5-11,16,20H,3-4,12H2,1-2H3
InChIKeyCMUDTIJVDWZYIH-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 112633068
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 82733459
1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 75441618
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749
N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 82737451
1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733903
N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine
CID 82732422
1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 114180016
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
1-(2-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-1-amine
CID 112676980
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994361
1-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112631442

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine (CID 115994436) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine is CCc1cccnc1CNC(CC)c1ccccc1F.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is CMUDTIJVDWZYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-13-8-7-11-19-17(13)12-20-16(4-2)14-9-5-6-10-15(14)18/h5-11,16,20H,3-4,12H2,1-2H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 272.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 115994436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).