N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine

C15H15Br2NO — CID 61400743

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
SMILESCOc1ccc(Br)cc1CNCc1cccc(Br)c1
InChIInChI=1S/C15H15Br2NO/c1-19-15-6-5-14(17)8-12(15)10-18-9-11-3-2-4-13(16)7-11/h2-8,18H,9-10H2,1H3
InChIKeyIFTHWXLSYXMVFM-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.51
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine (PubChem CID 61400743) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
PubChem CID61400743
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
SMILESCOc1ccc(Br)cc1CNCc1cccc(Br)c1
InChIInChI=1S/C15H15Br2NO/c1-19-15-6-5-14(17)8-12(15)10-18-9-11-3-2-4-13(16)7-11/h2-8,18H,9-10H2,1H3
InChIKeyIFTHWXLSYXMVFM-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(3-bromophenyl)methanamine
CID 61401345
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
CID 61400837
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17289791
2-[(5-bromo-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222898
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
1-(3-bromophenyl)-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]methanamine
CID 20956367
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-bromothiophen-2-yl)methanamine
CID 60743719
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 106844843

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine (CID 61400743) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine is COc1ccc(Br)cc1CNCc1cccc(Br)c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine?
The InChIKey is IFTHWXLSYXMVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-19-15-6-5-14(17)8-12(15)10-18-9-11-3-2-4-13(16)7-11/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine has a molecular weight of 385.10 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine is sourced from PubChem (CID 61400743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).