4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline

C17H21BrN2 — CID 79009092

IUPAC4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline
SMILESC[C@@H](N)c1ccc(N(C)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H21BrN2/c1-13(19)15-8-9-17(16(18)12-15)20(2)11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11,19H2,1-2H3/t13-/m1/s1
InChIKeyHLHQCJYZCCLTCR-CYBMUJFWSA-N
MW333.27 g/mol
LogP4.15
Rot. Bonds5

About 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline

4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline (PubChem CID 79009092) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline
PubChem CID79009092
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline
SMILESC[C@@H](N)c1ccc(N(C)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H21BrN2/c1-13(19)15-8-9-17(16(18)12-15)20(2)11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11,19H2,1-2H3/t13-/m1/s1
InChIKeyHLHQCJYZCCLTCR-CYBMUJFWSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65485907
2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
CID 62909377
N'-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694904
4-[(1S)-1-aminoethyl]-2-bromo-N-(2,2-difluoroethyl)-N-methylaniline
CID 104870977
4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63534132
4-[(1S)-1-aminoethyl]-2-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81055137
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-phenylaniline
CID 63368025
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-phenylaniline
CID 78936182
(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
CID 55183003
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
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline (CID 79009092) is 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline is C[C@@H](N)c1ccc(N(C)CCc2ccccc2)c(Br)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline?
The InChIKey is HLHQCJYZCCLTCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-13(19)15-8-9-17(16(18)12-15)20(2)11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11,19H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline?
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline has a molecular weight of 333.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 79009092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).