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

C17H21FN2 — CID 82741174

IUPACN-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ncccc1CC
InChIInChI=1S/C17H21FN2/c1-3-10-19-17(14-7-5-9-15(18)12-14)16-13(4-2)8-6-11-20-16/h5-9,11-12,17,19H,3-4,10H2,1-2H3
InChIKeyNKQRKUFYKIXZRU-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.87
Rot. Bonds6

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

N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 82741174) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID82741174
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ncccc1CC
InChIInChI=1S/C17H21FN2/c1-3-10-19-17(14-7-5-9-15(18)12-14)16-13(4-2)8-6-11-20-16/h5-9,11-12,17,19H,3-4,10H2,1-2H3
InChIKeyNKQRKUFYKIXZRU-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 82731223
N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791800
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733064
N-[(5-bromo-2-fluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733080
N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 82740765
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(3-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115791989
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(3-chloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 103444765

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine (CID 82741174) is N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1ncccc1CC.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is NKQRKUFYKIXZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-10-19-17(14-7-5-9-15(18)12-14)16-13(4-2)8-6-11-20-16/h5-9,11-12,17,19H,3-4,10H2,1-2H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine?
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 272.37 g/mol, XLogP of 3.87, 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)-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 82741174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).