1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine

C16H18ClFN2 — CID 83118328

IUPAC1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NC(C)c1ccc(F)cn1
InChIInChI=1S/C16H18ClFN2/c1-11(8-13-4-3-5-14(17)9-13)20-12(2)16-7-6-15(18)10-19-16/h3-7,9-12,20H,8H2,1-2H3
InChIKeyIPCRJWNDLISOFO-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.16
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine

1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine (PubChem CID 83118328) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
PubChem CID83118328
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NC(C)c1ccc(F)cn1
InChIInChI=1S/C16H18ClFN2/c1-11(8-13-4-3-5-14(17)9-13)20-12(2)16-7-6-15(18)10-19-16/h3-7,9-12,20H,8H2,1-2H3
InChIKeyIPCRJWNDLISOFO-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
CID 43694819
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115886385
1-(3-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115713565
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 83119379
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
4,4,4-trifluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]butan-2-amine
CID 104860347
1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 43694861
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
CID 43783490

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine (CID 83118328) is 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine is CC(Cc1cccc(Cl)c1)NC(C)c1ccc(F)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine?
The InChIKey is IPCRJWNDLISOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-11(8-13-4-3-5-14(17)9-13)20-12(2)16-7-6-15(18)10-19-16/h3-7,9-12,20H,8H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine?
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine has a molecular weight of 292.79 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine is sourced from PubChem (CID 83118328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).