N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H18BrClN2O — CID 62323963

IUPACN-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccnc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C16H18BrClN2O/c1-16(2,3)20-10-11-5-4-8-19-15(11)21-14-7-6-12(18)9-13(14)17/h4-9,20H,10H2,1-3H3
InChIKeyFTBXWHCFQMVHRD-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.18
Rot. Bonds4

About N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62323963) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62323963
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC NameN-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccnc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C16H18BrClN2O/c1-16(2,3)20-10-11-5-4-8-19-15(11)21-14-7-6-12(18)9-13(14)17/h4-9,20H,10H2,1-3H3
InChIKeyFTBXWHCFQMVHRD-UHFFFAOYSA-N
XLogP5.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323935
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
CID 43528666
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056881
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 106597925
(1S)-1-[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]ethanamine
CID 114056638
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62287354
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311
N-[[2-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107660753

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62323963) is N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccnc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FTBXWHCFQMVHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-16(2,3)20-10-11-5-4-8-19-15(11)21-14-7-6-12(18)9-13(14)17/h4-9,20H,10H2,1-3H3.
What are the key properties of N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 369.69 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62323963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).