N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine

C11H13Br2NO — CID 4719896

IUPACN-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1c(Br)cc(Br)cc1CNC1CC1
InChIInChI=1S/C11H13Br2NO/c1-15-11-7(6-14-9-2-3-9)4-8(12)5-10(11)13/h4-5,9,14H,2-3,6H2,1H3
InChIKeyLLVYUDRCRSLVGB-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.47
Rot. Bonds4

About N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine

N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine (PubChem CID 4719896) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
PubChem CID4719896
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1c(Br)cc(Br)cc1CNC1CC1
InChIInChI=1S/C11H13Br2NO/c1-15-11-7(6-14-9-2-3-9)4-8(12)5-10(11)13/h4-5,9,14H,2-3,6H2,1H3
InChIKeyLLVYUDRCRSLVGB-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222614
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine
CID 29225012
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63922914
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
CID 29227748
4-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62320717
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158943
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030
(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
CID 81386867
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861903
(1R)-1-cycloheptyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
CID 81389601
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide
CID 78977647

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine (CID 4719896) is N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine is COc1c(Br)cc(Br)cc1CNC1CC1.
What is the InChIKey of N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine?
The InChIKey is LLVYUDRCRSLVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c1-15-11-7(6-14-9-2-3-9)4-8(12)5-10(11)13/h4-5,9,14H,2-3,6H2,1H3.
What are the key properties of N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine?
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine has a molecular weight of 335.04 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 4719896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).