N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine

C15H16ClFN2O — CID 102615560

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-10(2)20-15-14(4-3-7-18-15)19-9-11-8-12(17)5-6-13(11)16/h3-8,10,19H,9H2,1-2H3
InChIKeyUDQKFNVJGGDBGN-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.27
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine

N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 102615560) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID102615560
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-10(2)20-15-14(4-3-7-18-15)19-9-11-8-12(17)5-6-13(11)16/h3-8,10,19H,9H2,1-2H3
InChIKeyUDQKFNVJGGDBGN-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 106862466
2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 61375585
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 62763918
4-chloro-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
CID 115468707
2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773952
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine (CID 102615560) is N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NCc1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is UDQKFNVJGGDBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-10(2)20-15-14(4-3-7-18-15)19-9-11-8-12(17)5-6-13(11)16/h3-8,10,19H,9H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 294.76 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 102615560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).