4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline

C16H18Br2N2 — CID 63534132

IUPAC4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
SMILESCC(N)c1ccc(N(C)Cc2ccccc2Br)c(Br)c1
InChIInChI=1S/C16H18Br2N2/c1-11(19)12-7-8-16(15(18)9-12)20(2)10-13-5-3-4-6-14(13)17/h3-9,11H,10,19H2,1-2H3
InChIKeyCNHFQNRADACODC-UHFFFAOYSA-N
MW398.14 g/mol
LogP4.87
Rot. Bonds4

About 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline

4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline (PubChem CID 63534132) has the molecular formula C16H18Br2N2 and a molecular weight of 398.14 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
PubChem CID63534132
Molecular FormulaC16H18Br2N2
Molecular Weight398.14 g/mol
Exact Mass395.98
IUPAC Name4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
SMILESCC(N)c1ccc(N(C)Cc2ccccc2Br)c(Br)c1
InChIInChI=1S/C16H18Br2N2/c1-11(19)12-7-8-16(15(18)9-12)20(2)10-13-5-3-4-6-14(13)17/h3-9,11H,10,19H2,1-2H3
InChIKeyCNHFQNRADACODC-UHFFFAOYSA-N
XLogP4.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 62910058
4-[(1S)-1-aminoethyl]-2-bromo-N-[(2-chlorophenyl)methyl]-N-methylaniline
CID 63532532
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 78934605
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 55190467
2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63369359
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934682
4-[(1S)-1-aminoethyl]-2-bromo-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63532832
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 79009092
4-[(1S)-1-aminoethyl]-2-bromo-N-(2,2-difluoroethyl)-N-methylaniline
CID 104870977
2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
CID 62909377
(1S)-1-[3-bromo-4-[(2-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78944634
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 78934602

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline (CID 63534132) is 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline is CC(N)c1ccc(N(C)Cc2ccccc2Br)c(Br)c1.
What is the InChIKey of 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline?
The InChIKey is CNHFQNRADACODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2/c1-11(19)12-7-8-16(15(18)9-12)20(2)10-13-5-3-4-6-14(13)17/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline?
4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline has a molecular weight of 398.14 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 63534132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).