4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol

C17H20BrNO2 — CID 81355826

IUPAC4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N[C@H](C)c2ccc(Br)cc2)ccc1O
InChIInChI=1S/C17H20BrNO2/c1-11(13-4-7-15(18)8-5-13)19-12(2)14-6-9-16(20)17(10-14)21-3/h4-12,19-20H,1-3H3/t11-,12?/m1/s1
InChIKeyXWUXPIYORZYCQY-JHJMLUEUSA-N
MW350.26 g/mol
LogP4.58
Rot. Bonds5

About 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol

4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol (PubChem CID 81355826) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
PubChem CID81355826
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N[C@H](C)c2ccc(Br)cc2)ccc1O
InChIInChI=1S/C17H20BrNO2/c1-11(13-4-7-15(18)8-5-13)19-12(2)14-6-9-16(20)17(10-14)21-3/h4-12,19-20H,1-3H3/t11-,12?/m1/s1
InChIKeyXWUXPIYORZYCQY-JHJMLUEUSA-N
XLogP4.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81378019
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
CID 81367090
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54954546
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 43202613

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol (CID 81355826) is 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol is COc1cc(C(C)N[C@H](C)c2ccc(Br)cc2)ccc1O.
What is the InChIKey of 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol?
The InChIKey is XWUXPIYORZYCQY-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11(13-4-7-15(18)8-5-13)19-12(2)14-6-9-16(20)17(10-14)21-3/h4-12,19-20H,1-3H3/t11-,12?/m1/s1.
What are the key properties of 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol?
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol has a molecular weight of 350.26 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 81355826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).