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

C17H20BrNO — CID 43787862

IUPAC5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
SMILESCOc1ccccc1CC(C)Nc1cc(Br)ccc1C
InChIInChI=1S/C17H20BrNO/c1-12-8-9-15(18)11-16(12)19-13(2)10-14-6-4-5-7-17(14)20-3/h4-9,11,13,19H,10H2,1-3H3
InChIKeyBKJHHIVTSWDMLE-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.81
Rot. Bonds5

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

5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline (PubChem CID 43787862) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
PubChem CID43787862
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
SMILESCOc1ccccc1CC(C)Nc1cc(Br)ccc1C
InChIInChI=1S/C17H20BrNO/c1-12-8-9-15(18)11-16(12)19-13(2)10-14-6-4-5-7-17(14)20-3/h4-9,11,13,19H,10H2,1-3H3
InChIKeyBKJHHIVTSWDMLE-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
[1-(4-bromo-2-methylphenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105289377
2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43758711
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188
2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 63454158
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
CID 66251267
2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43775031
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281
1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 61066107
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline (CID 43787862) is 5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline is COc1ccccc1CC(C)Nc1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline?
The InChIKey is BKJHHIVTSWDMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-8-9-15(18)11-16(12)19-13(2)10-14-6-4-5-7-17(14)20-3/h4-9,11,13,19H,10H2,1-3H3.
What are the key properties of 5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline?
5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline has a molecular weight of 334.26 g/mol, XLogP of 4.81, 5 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)propan-2-yl]-2-methylaniline is sourced from PubChem (CID 43787862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).