1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine

C17H19BrFNO — CID 82964700

IUPAC1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFNO/c1-12(16-8-5-14(18)11-17(16)19)20-10-9-13-3-6-15(21-2)7-4-13/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyCIONVAUOCOKQNQ-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.49
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine

1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine (PubChem CID 82964700) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
PubChem CID82964700
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFNO/c1-12(16-8-5-14(18)11-17(16)19)20-10-9-13-3-6-15(21-2)7-4-13/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyCIONVAUOCOKQNQ-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 107167096
1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 82961644
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 22483194
4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65468405
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43099095

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine (CID 82964700) is 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine is COc1ccc(CCNC(C)c2ccc(Br)cc2F)cc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
The InChIKey is CIONVAUOCOKQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(16-8-5-14(18)11-17(16)19)20-10-9-13-3-6-15(21-2)7-4-13/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine?
1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 82964700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).