N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine

C15H16ClFN2O — CID 116689984

IUPACN-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C15H16ClFN2O/c1-10(2)19-9-11-6-7-18-14(8-11)20-13-5-3-4-12(16)15(13)17/h3-8,10,19H,9H2,1-2H3
InChIKeyUJUUMMNXZUAHEB-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.16
Rot. Bonds5

About N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine

N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 116689984) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID116689984
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C15H16ClFN2O/c1-10(2)19-9-11-6-7-18-14(8-11)20-13-5-3-4-12(16)15(13)17/h3-8,10,19H,9H2,1-2H3
InChIKeyUJUUMMNXZUAHEB-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689946
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62321474
1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 116689319
(1S)-1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanol
CID 104892705
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
1-[2-(2,3-dichlorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62297929
1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 55058551
N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62296745

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine (CID 116689984) is N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(Oc2cccc(Cl)c2F)c1.
What is the InChIKey of N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is UJUUMMNXZUAHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-10(2)19-9-11-6-7-18-14(8-11)20-13-5-3-4-12(16)15(13)17/h3-8,10,19H,9H2,1-2H3.
What are the key properties of N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 294.76 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 116689984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).