5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol

C16H18BrNO2 — CID 51675565

IUPAC5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN[C@@H](C)c2ccccc2Br)cc1O
InChIInChI=1S/C16H18BrNO2/c1-11(13-5-3-4-6-14(13)17)18-10-12-7-8-16(20-2)15(19)9-12/h3-9,11,18-19H,10H2,1-2H3/t11-/m0/s1
InChIKeyBHYTXCUGIYWDOX-NSHDSACASA-N
MW336.23 g/mol
LogP4.01
Rot. Bonds5

About 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol

5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol (PubChem CID 51675565) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
PubChem CID51675565
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN[C@@H](C)c2ccccc2Br)cc1O
InChIInChI=1S/C16H18BrNO2/c1-11(13-5-3-4-6-14(13)17)18-10-12-7-8-16(20-2)15(19)9-12/h3-9,11,18-19H,10H2,1-2H3/t11-/m0/s1
InChIKeyBHYTXCUGIYWDOX-NSHDSACASA-N
XLogP4.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
(1R)-1-(2-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30615952
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-5-methoxyphenol
CID 81379403
(1S)-1-(2-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81383795
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
(1S)-1-(2-bromophenyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 81383552
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol (CID 51675565) is 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol is COc1ccc(CN[C@@H](C)c2ccccc2Br)cc1O.
What is the InChIKey of 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol?
The InChIKey is BHYTXCUGIYWDOX-NSHDSACASA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(13-5-3-4-6-14(13)17)18-10-12-7-8-16(20-2)15(19)9-12/h3-9,11,18-19H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol?
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol has a molecular weight of 336.23 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 51675565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).