N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine

C16H18BrClN2O — CID 63487989

IUPACN-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Br)ccc1Oc1ccc(Cl)c(CNC(C)C)n1
InChIInChI=1S/C16H18BrClN2O/c1-10(2)19-9-14-13(18)5-7-16(20-14)21-15-6-4-12(17)8-11(15)3/h4-8,10,19H,9H2,1-3H3
InChIKeyAXPSXZMUFYPWPX-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.10
Rot. Bonds5

About N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine

N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine (PubChem CID 63487989) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
PubChem CID63487989
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC NameN-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Br)ccc1Oc1ccc(Cl)c(CNC(C)C)n1
InChIInChI=1S/C16H18BrClN2O/c1-10(2)19-9-14-13(18)5-7-16(20-14)21-15-6-4-12(17)8-11(15)3/h4-8,10,19H,9H2,1-3H3
InChIKeyAXPSXZMUFYPWPX-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-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686
1-[6-(2-bromo-4-methylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 62322384
N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62296568
N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 66275955
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66467044
3-(4-bromo-2-methylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63217089
N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
CID 107285773
N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116803000
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168
N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine
CID 63489529

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine (CID 63487989) is N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine is Cc1cc(Br)ccc1Oc1ccc(Cl)c(CNC(C)C)n1.
What is the InChIKey of N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is AXPSXZMUFYPWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-10(2)19-9-14-13(18)5-7-16(20-14)21-15-6-4-12(17)8-11(15)3/h4-8,10,19H,9H2,1-3H3.
What are the key properties of N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-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-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 63487989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).