N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

C17H21FN2O — CID 83119379

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1ccc(F)cn1
InChIInChI=1S/C17H21FN2O/c1-12(10-14-6-4-5-7-17(14)21-3)20-13(2)16-9-8-15(18)11-19-16/h4-9,11-13,20H,10H2,1-3H3
InChIKeyMJCVAHYIGGVILM-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 83119379) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
PubChem CID83119379
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1ccc(F)cn1
InChIInChI=1S/C17H21FN2O/c1-12(10-14-6-4-5-7-17(14)21-3)20-13(2)16-9-8-15(18)11-19-16/h4-9,11-13,20H,10H2,1-3H3
InChIKeyMJCVAHYIGGVILM-UHFFFAOYSA-N
XLogP3.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115886385
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 115726774
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83118328
4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine
CID 104860347
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
N-[1-(2-chlorophenyl)propan-2-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938502
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (CID 83119379) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(C)NC(C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is MJCVAHYIGGVILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12(10-14-6-4-5-7-17(14)21-3)20-13(2)16-9-8-15(18)11-19-16/h4-9,11-13,20H,10H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 288.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 83119379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).