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

C16H18BrClN2O — CID 107285773

IUPACN-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(Br)cc1Oc1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C16H18BrClN2O/c1-10(2)19-8-12-6-14(18)16(20-9-12)21-15-7-13(17)5-4-11(15)3/h4-7,9-10,19H,8H2,1-3H3
InChIKeyISYVSACLJHZRCQ-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.10
Rot. Bonds5

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

N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine (PubChem CID 107285773) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
PubChem CID107285773
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC NameN-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(Br)cc1Oc1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C16H18BrClN2O/c1-10(2)19-8-12-6-14(18)16(20-9-12)21-15-7-13(17)5-4-11(15)3/h4-7,9-10,19H,8H2,1-3H3
InChIKeyISYVSACLJHZRCQ-UHFFFAOYSA-N
XLogP5.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
N-[[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637433
2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
CID 107284494
N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 64854100
N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 83232522
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635290
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943
N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 65125298
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 82005702
N-[[6-(4-chloro-3-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82718259
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469

Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine (CID 107285773) is N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine is Cc1ccc(Br)cc1Oc1ncc(CNC(C)C)cc1Cl.
What is the InChIKey of N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is ISYVSACLJHZRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-10(2)19-8-12-6-14(18)16(20-9-12)21-15-7-13(17)5-4-11(15)3/h4-7,9-10,19H,8H2,1-3H3.
What are the key properties of N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 369.69 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 107285773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).