[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine

C16H18Br2N2 — CID 102770348

IUPAC[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCN(Cc1ccccc1Br)Cc1ccc(CN)cc1Br
InChIInChI=1S/C16H18Br2N2/c1-20(10-13-4-2-3-5-15(13)17)11-14-7-6-12(9-19)8-16(14)18/h2-8H,9-11,19H2,1H3
InChIKeyFLRUUFDDXPLRSD-UHFFFAOYSA-N
MW398.14 g/mol
LogP4.30
Rot. Bonds5

About [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine

[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine (PubChem CID 102770348) has the molecular formula C16H18Br2N2 and a molecular weight of 398.14 g/mol. Its IUPAC name is [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
PubChem CID102770348
Molecular FormulaC16H18Br2N2
Molecular Weight398.14 g/mol
Exact Mass395.98
IUPAC Name[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCN(Cc1ccccc1Br)Cc1ccc(CN)cc1Br
InChIInChI=1S/C16H18Br2N2/c1-20(10-13-4-2-3-5-15(13)17)11-14-7-6-12(9-19)8-16(14)18/h2-8H,9-11,19H2,1H3
InChIKeyFLRUUFDDXPLRSD-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-[[(3-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102769331
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 102771838
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
CID 114238251
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 55027528
1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
CID 61416373
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478646
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine
CID 102769820

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine (CID 102770348) is [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine is CN(Cc1ccccc1Br)Cc1ccc(CN)cc1Br.
What is the InChIKey of [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine?
The InChIKey is FLRUUFDDXPLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2/c1-20(10-13-4-2-3-5-15(13)17)11-14-7-6-12(9-19)8-16(14)18/h2-8H,9-11,19H2,1H3.
What are the key properties of [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine?
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine has a molecular weight of 398.14 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine is sourced from PubChem (CID 102770348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).