5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline

C16H18BrNO — CID 43729543

IUPAC5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
SMILESCOc1ccccc1C(C)Nc1cc(Br)ccc1C
InChIInChI=1S/C16H18BrNO/c1-11-8-9-13(17)10-15(11)18-12(2)14-6-4-5-7-16(14)19-3/h4-10,12,18H,1-3H3
InChIKeyFTWAGNUBMKSXPE-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.94
Rot. Bonds4

About 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline

5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline (PubChem CID 43729543) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
PubChem CID43729543
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
SMILESCOc1ccccc1C(C)Nc1cc(Br)ccc1C
InChIInChI=1S/C16H18BrNO/c1-11-8-9-13(17)10-15(11)18-12(2)14-6-4-5-7-16(14)19-3/h4-10,12,18H,1-3H3
InChIKeyFTWAGNUBMKSXPE-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43787862
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
CID 43192646
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline (CID 43729543) is 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline is COc1ccccc1C(C)Nc1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline?
The InChIKey is FTWAGNUBMKSXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-8-9-13(17)10-15(11)18-12(2)14-6-4-5-7-16(14)19-3/h4-10,12,18H,1-3H3.
What are the key properties of 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline?
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline has a molecular weight of 320.23 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43729543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).