N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C16H18ClFN2O — CID 64854100

IUPACN-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(F)c(Oc2ncc(CNC(C)C)cc2Cl)c1
InChIInChI=1S/C16H18ClFN2O/c1-10(2)19-8-12-7-13(17)16(20-9-12)21-15-6-11(3)4-5-14(15)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyHTYJNAVLQVGMBE-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.47
Rot. Bonds5

About N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 64854100) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID64854100
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(F)c(Oc2ncc(CNC(C)C)cc2Cl)c1
InChIInChI=1S/C16H18ClFN2O/c1-10(2)19-8-12-7-13(17)16(20-9-12)21-15-6-11(3)4-5-14(15)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyHTYJNAVLQVGMBE-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanol
CID 64855240
N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
CID 107285773
N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 65125298
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)phenyl]methyl]propan-2-amine
CID 114857479
N-[[6-(4-chloro-3-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82718259
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635290
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 82005702
N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 83232522
N-[[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637433
3-chloro-5-(chloromethyl)-2-(2,5-difluorophenoxy)pyridine
CID 63269403

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 64854100) is N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine is Cc1ccc(F)c(Oc2ncc(CNC(C)C)cc2Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is HTYJNAVLQVGMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-10(2)19-8-12-7-13(17)16(20-9-12)21-15-6-11(3)4-5-14(15)18/h4-7,9-10,19H,8H2,1-3H3.
What are the key properties of N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 308.78 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 64854100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).