5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline

C17H20BrNO2 — CID 63455888

IUPAC5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(Br)cc1NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C17H20BrNO2/c1-11-5-7-16(20-3)14(9-11)12(2)19-15-10-13(18)6-8-17(15)21-4/h5-10,12,19H,1-4H3
InChIKeyVGUQIWUEVRYLIS-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.95
Rot. Bonds5

About 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline

5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (PubChem CID 63455888) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
PubChem CID63455888
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
SMILESCOc1ccc(Br)cc1NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C17H20BrNO2/c1-11-5-7-16(20-3)14(9-11)12(2)19-15-10-13(18)6-8-17(15)21-4/h5-10,12,19H,1-4H3
InChIKeyVGUQIWUEVRYLIS-UHFFFAOYSA-N
XLogP4.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225422
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713
5-bromo-2-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54968251
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
CID 43192925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The IUPAC name of 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline (CID 63455888) is 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is COc1ccc(Br)cc1NC(C)c1cc(C)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
The InChIKey is VGUQIWUEVRYLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-5-7-16(20-3)14(9-11)12(2)19-15-10-13(18)6-8-17(15)21-4/h5-10,12,19H,1-4H3.
What are the key properties of 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline?
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline has a molecular weight of 350.26 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline is sourced from PubChem (CID 63455888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).