N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

C16H16BrClN2O — CID 62323781

IUPACN-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Cl)ccc1Oc1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C16H16BrClN2O/c1-10-6-13(18)2-5-15(10)21-16-11(7-12(17)9-20-16)8-19-14-3-4-14/h2,5-7,9,14,19H,3-4,8H2,1H3
InChIKeyNIBRBPKPSMPHGP-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.85
Rot. Bonds5

About N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62323781) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62323781
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Cl)ccc1Oc1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C16H16BrClN2O/c1-10-6-13(18)2-5-15(10)21-16-11(7-12(17)9-20-16)8-19-14-3-4-14/h2,5-7,9,14,19H,3-4,8H2,1H3
InChIKeyNIBRBPKPSMPHGP-UHFFFAOYSA-N
XLogP4.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590
N-[[5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81341298
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 65125438
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62292011
N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
CID 55058832
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290492
N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187779
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 62323781) is N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(Cl)ccc1Oc1ncc(Br)cc1CNC1CC1.
What is the InChIKey of N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is NIBRBPKPSMPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-10-6-13(18)2-5-15(10)21-16-11(7-12(17)9-20-16)8-19-14-3-4-14/h2,5-7,9,14,19H,3-4,8H2,1H3.
What are the key properties of N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 367.67 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62323781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).