N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine

C14H21BrN2O — CID 62292011

IUPACN-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC(C)(C)Oc1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C14H21BrN2O/c1-4-14(2,3)18-13-10(7-11(15)9-17-13)8-16-12-5-6-12/h7,9,12,16H,4-6,8H2,1-3H3
InChIKeyZOSFTQVFCRHIOS-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.66
Rot. Bonds6

About N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62292011) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62292011
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC(C)(C)Oc1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C14H21BrN2O/c1-4-14(2,3)18-13-10(7-11(15)9-17-13)8-16-12-5-6-12/h7,9,12,16H,4-6,8H2,1-3H3
InChIKeyZOSFTQVFCRHIOS-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
CID 55058832
N-[[5-bromo-2-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 62298219
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290492
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752
N-[[6-methyl-4-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253556
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323781
N-[[5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81341298
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297369
N-[[5-bromo-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323498
N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297872

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine (CID 62292011) is N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine is CCC(C)(C)Oc1ncc(Br)cc1CNC1CC1.
What is the InChIKey of N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZOSFTQVFCRHIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-14(2,3)18-13-10(7-11(15)9-17-13)8-16-12-5-6-12/h7,9,12,16H,4-6,8H2,1-3H3.
What are the key properties of N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 313.24 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62292011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).