N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine

C16H17BrFNO — CID 105092648

IUPACN-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-5-4-6-12(18)9-11)14-10-13(20-2)7-8-15(14)17/h4-10,16,19H,3H2,1-2H3
InChIKeyASNIKOSQEMICED-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

About N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine

N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine (PubChem CID 105092648) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine
PubChem CID105092648
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-5-4-6-12(18)9-11)14-10-13(20-2)7-8-15(14)17/h4-10,16,19H,3H2,1-2H3
InChIKeyASNIKOSQEMICED-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-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562053
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
[(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283657
N-[(2-bromo-5-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105173796
[(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283642
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine (CID 105092648) is N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1)c1cc(OC)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is ASNIKOSQEMICED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-19-16(11-5-4-6-12(18)9-11)14-10-13(20-2)7-8-15(14)17/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine?
N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)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-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 105092648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).