1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine

C15H19Br2NO — CID 43768522

IUPAC1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
SMILESCOc1c(Br)cc(CNC(C2CC2)C2CC2)cc1Br
InChIInChI=1S/C15H19Br2NO/c1-19-15-12(16)6-9(7-13(15)17)8-18-14(10-2-3-10)11-4-5-11/h6-7,10-11,14,18H,2-5,8H2,1H3
InChIKeyOEFDYXRFSURVGM-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.50
Rot. Bonds6

About 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine

1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine (PubChem CID 43768522) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
PubChem CID43768522
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC Name1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
SMILESCOc1c(Br)cc(CNC(C2CC2)C2CC2)cc1Br
InChIInChI=1S/C15H19Br2NO/c1-19-15-12(16)6-9(7-13(15)17)8-18-14(10-2-3-10)11-4-5-11/h6-7,10-11,14,18H,2-5,8H2,1H3
InChIKeyOEFDYXRFSURVGM-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43622939
2-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]propan-1-amine
CID 115592571
(1S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81390961
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63454431
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 86849128
1-cyclobutyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43775196
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 113240691
(2S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 40726497
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464064
1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60788913

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine (CID 43768522) is 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine is COc1c(Br)cc(CNC(C2CC2)C2CC2)cc1Br.
What is the InChIKey of 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine?
The InChIKey is OEFDYXRFSURVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c1-19-15-12(16)6-9(7-13(15)17)8-18-14(10-2-3-10)11-4-5-11/h6-7,10-11,14,18H,2-5,8H2,1H3.
What are the key properties of 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine?
1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine has a molecular weight of 389.13 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 43768522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).