N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine

C16H18BrClN2O — CID 104796439

IUPACN-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1OCc1cncc(Br)c1
InChIInChI=1S/C16H18BrClN2O/c1-11(2)20-9-14-15(18)4-3-5-16(14)21-10-12-6-13(17)8-19-7-12/h3-8,11,20H,9-10H2,1-2H3
InChIKeyQIMZONQAYYSLNU-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.57
Rot. Bonds6

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

N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine (PubChem CID 104796439) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
PubChem CID104796439
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC NameN-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1OCc1cncc(Br)c1
InChIInChI=1S/C16H18BrClN2O/c1-11(2)20-9-14-15(18)4-3-5-16(14)21-10-12-6-13(17)8-19-7-12/h3-8,11,20H,9-10H2,1-2H3
InChIKeyQIMZONQAYYSLNU-UHFFFAOYSA-N
XLogP4.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725
3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 104799200
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 114319763
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319988
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 113276725
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
CID 103854608
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 102880334
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine (CID 104796439) is N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine is CC(C)NCc1c(Cl)cccc1OCc1cncc(Br)c1.
What is the InChIKey of N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine?
The InChIKey is QIMZONQAYYSLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-11(2)20-9-14-15(18)4-3-5-16(14)21-10-12-6-13(17)8-19-7-12/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine?
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine has a molecular weight of 369.69 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 104796439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).