N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine

C16H17BrFNO — CID 115786059

IUPACN-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cccc(F)c1Br
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-6-4-7-12(10-11)20-2)13-8-5-9-14(18)15(13)17/h4-10,16,19H,3H2,1-2H3
InChIKeyHNAUDFSOXNTNIH-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

About N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine

N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 115786059) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID115786059
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cccc(F)c1Br
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-6-4-7-12(10-11)20-2)13-8-5-9-14(18)15(13)17/h4-10,16,19H,3H2,1-2H3
InChIKeyHNAUDFSOXNTNIH-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81499377
N-[(2-chloro-4,5-difluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107476523
N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 64712795
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 115785913
N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092648
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine (CID 115786059) is N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1cccc(F)c1Br.
What is the InChIKey of N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is HNAUDFSOXNTNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-19-16(11-6-4-7-12(10-11)20-2)13-8-5-9-14(18)15(13)17/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115786059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).