N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline

C16H17BrFNO2 — CID 82964704

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Br)cc2F)cc(OC)c1
InChIInChI=1S/C16H17BrFNO2/c1-10(15-5-4-11(17)6-16(15)18)19-12-7-13(20-2)9-14(8-12)21-3/h4-10,19H,1-3H3
InChIKeyRMNGLTYSCQLQKC-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.78
Rot. Bonds5

About N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline

N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline (PubChem CID 82964704) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline
PubChem CID82964704
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Br)cc2F)cc(OC)c1
InChIInChI=1S/C16H17BrFNO2/c1-10(15-5-4-11(17)6-16(15)18)19-12-7-13(20-2)9-14(8-12)21-3/h4-10,19H,1-3H3
InChIKeyRMNGLTYSCQLQKC-UHFFFAOYSA-N
XLogP4.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-chloro-4-methoxyaniline
CID 82962595
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine
CID 82964453
2-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306
2,4-dibromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-5-methoxyaniline
CID 103411845
2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43773626
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857305
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-(difluoromethylsulfanyl)aniline
CID 82964279
1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 82964700
4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
CID 82962050
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
1-N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82964058

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline (CID 82964704) is N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline is COc1cc(NC(C)c2ccc(Br)cc2F)cc(OC)c1.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline?
The InChIKey is RMNGLTYSCQLQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10(15-5-4-11(17)6-16(15)18)19-12-7-13(20-2)9-14(8-12)21-3/h4-10,19H,1-3H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline?
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline has a molecular weight of 354.22 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 82964704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).