4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline

C15H16Br2N2 — CID 107274766

IUPAC4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccccc1Br)c1ccc(CN)c(Br)c1
InChIInChI=1S/C15H16Br2N2/c1-19(10-12-4-2-3-5-14(12)16)13-7-6-11(9-18)15(17)8-13/h2-8H,9-10,18H2,1H3
InChIKeyBSGTZIKQEUIGMX-UHFFFAOYSA-N
MW384.12 g/mol
LogP4.31
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline

4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline (PubChem CID 107274766) has the molecular formula C15H16Br2N2 and a molecular weight of 384.12 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
PubChem CID107274766
Molecular FormulaC15H16Br2N2
Molecular Weight384.12 g/mol
Exact Mass381.97
IUPAC Name4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccccc1Br)c1ccc(CN)c(Br)c1
InChIInChI=1S/C15H16Br2N2/c1-19(10-12-4-2-3-5-14(12)16)13-7-6-11(9-18)15(17)8-13/h2-8H,9-10,18H2,1H3
InChIKeyBSGTZIKQEUIGMX-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
2-amino-5-[(2-bromophenyl)methyl-methylamino]benzonitrile
CID 115499199
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
3-N-[(2-bromophenyl)methyl]-3-N,5-dimethylbenzene-1,3-diamine
CID 112647329
3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 62286034
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
4-(aminomethyl)-3-bromo-N,N-diethylaniline
CID 107274646
4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline
CID 107274857

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline (CID 107274766) is 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline is CN(Cc1ccccc1Br)c1ccc(CN)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline?
The InChIKey is BSGTZIKQEUIGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2/c1-19(10-12-4-2-3-5-14(12)16)13-7-6-11(9-18)15(17)8-13/h2-8H,9-10,18H2,1H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline?
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline has a molecular weight of 384.12 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 107274766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).