4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline

C17H20BrNO — CID 43508695

IUPAC4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline
SMILESCOc1ccc(CC(C)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H20BrNO/c1-12-10-15(18)6-9-17(12)19-13(2)11-14-4-7-16(20-3)8-5-14/h4-10,13,19H,11H2,1-3H3
InChIKeyFYVQXLPTJLRXPQ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.81
Rot. Bonds5

About 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline

4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline (PubChem CID 43508695) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline
PubChem CID43508695
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline
SMILESCOc1ccc(CC(C)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H20BrNO/c1-12-10-15(18)6-9-17(12)19-13(2)11-14-4-7-16(20-3)8-5-14/h4-10,13,19H,11H2,1-3H3
InChIKeyFYVQXLPTJLRXPQ-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

4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
4-bromo-1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methylbenzene
CID 63519198
2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 107610259
5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43777522
4-bromo-2-methyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629495
3-chloro-4-[1-(4-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 107807278
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691
4-bromo-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 43226476
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline
CID 55200364

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline (CID 43508695) is 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline is COc1ccc(CC(C)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline?
The InChIKey is FYVQXLPTJLRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-10-15(18)6-9-17(12)19-13(2)11-14-4-7-16(20-3)8-5-14/h4-10,13,19H,11H2,1-3H3.
What are the key properties of 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline?
4-bromo-N-[1-(4-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 4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline is sourced from PubChem (CID 43508695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).