N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

C17H19BrFNO — CID 60944542

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NC(C)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C17H19BrFNO/c1-11(13-5-4-6-15(9-13)21-3)20-12(2)14-7-8-17(19)16(18)10-14/h4-12,20H,1-3H3
InChIKeyGFOJOHGMHVNEDG-UHFFFAOYSA-N
MW352.25 g/mol
LogP5.01
Rot. Bonds5

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 60944542) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID60944542
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NC(C)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C17H19BrFNO/c1-11(13-5-4-6-15(9-13)21-3)20-12(2)14-7-8-17(19)16(18)10-14/h4-12,20H,1-3H3
InChIKeyGFOJOHGMHVNEDG-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382610
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43768152
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846
4-bromo-2,5-difluoro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 107609316
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (CID 60944542) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NC(C)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is GFOJOHGMHVNEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-11(13-5-4-6-15(9-13)21-3)20-12(2)14-7-8-17(19)16(18)10-14/h4-12,20H,1-3H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 352.25 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 60944542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).