N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine

C16H17BrFNO — CID 115655771

IUPACN-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11(16-14(18)7-4-8-15(16)20-2)19-10-12-5-3-6-13(17)9-12/h3-9,11,19H,10H2,1-2H3
InChIKeyDHSQNZJQWQTCSO-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.45
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine

N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine (PubChem CID 115655771) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
PubChem CID115655771
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11(16-14(18)7-4-8-15(16)20-2)19-10-12-5-3-6-13(17)9-12/h3-9,11,19H,10H2,1-2H3
InChIKeyDHSQNZJQWQTCSO-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
N-[(3,4-difluorophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655779
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 60946076
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
(1S)-1-(3-bromophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81382171
N-[(3-bromothiophen-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 112551244
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine (CID 115655771) is N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine is COc1cccc(F)c1C(C)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The InChIKey is DHSQNZJQWQTCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(16-14(18)7-4-8-15(16)20-2)19-10-12-5-3-6-13(17)9-12/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine is sourced from PubChem (CID 115655771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).