N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine

C16H17Br2NO — CID 107973557

IUPACN-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)cc(Br)c1)c1cccc(OC)c1
InChIInChI=1S/C16H17Br2NO/c1-3-19-16(11-5-4-6-15(9-11)20-2)12-7-13(17)10-14(18)8-12/h4-10,16,19H,3H2,1-2H3
InChIKeyTURBULLVQBZOPX-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.92
Rot. Bonds5

About N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine

N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 107973557) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID107973557
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC NameN-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)cc(Br)c1)c1cccc(OC)c1
InChIInChI=1S/C16H17Br2NO/c1-3-19-16(11-5-4-6-15(9-11)20-2)12-7-13(17)10-14(18)8-12/h4-10,16,19H,3H2,1-2H3
InChIKeyTURBULLVQBZOPX-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
N-[[(1E)-cycloocten-1-yl]-(3-methoxyphenyl)methyl]ethanamine
CID 106652417
N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine (CID 107973557) is N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(Br)cc(Br)c1)c1cccc(OC)c1.
What is the InChIKey of N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is TURBULLVQBZOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-3-19-16(11-5-4-6-15(9-11)20-2)12-7-13(17)10-14(18)8-12/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 399.13 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107973557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).