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

C17H20BrNO — CID 82761842

IUPAC2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline
SMILESCCC(Nc1cc(C)ccc1Br)c1ccccc1OC
InChIInChI=1S/C17H20BrNO/c1-4-15(13-7-5-6-8-17(13)20-3)19-16-11-12(2)9-10-14(16)18/h5-11,15,19H,4H2,1-3H3
InChIKeyOYFFSSNVCMZQBV-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.33
Rot. Bonds5

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

2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline (PubChem CID 82761842) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline
PubChem CID82761842
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline
SMILESCCC(Nc1cc(C)ccc1Br)c1ccccc1OC
InChIInChI=1S/C17H20BrNO/c1-4-15(13-7-5-6-8-17(13)20-3)19-16-11-12(2)9-10-14(16)18/h5-11,15,19H,4H2,1-3H3
InChIKeyOYFFSSNVCMZQBV-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-[1-(4-methylphenyl)propyl]aniline
CID 82761260
N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine
CID 104816416
4-bromo-2,6-dichloro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773726
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
[2-[1-(2-methoxyphenyl)propylamino]phenyl]methanol
CID 43790484
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957
N-[1-(2-methoxyphenyl)propyl]-1,3-dimethylpyrazol-4-amine
CID 104955928
2,3,4-trifluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43759509
4-chloro-2-iodo-N-[1-(2-methoxyphenyl)propyl]aniline
CID 107631818
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline (CID 82761842) is 2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline is CCC(Nc1cc(C)ccc1Br)c1ccccc1OC.
What is the InChIKey of 2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline?
The InChIKey is OYFFSSNVCMZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-15(13-7-5-6-8-17(13)20-3)19-16-11-12(2)9-10-14(16)18/h5-11,15,19H,4H2,1-3H3.
What are the key properties of 2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline?
2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline is sourced from PubChem (CID 82761842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).