N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine

C17H19BrFNO — CID 43225422

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFNO/c1-11-4-7-17(21-3)15(8-11)12(2)20-10-13-9-14(18)5-6-16(13)19/h4-9,12,20H,10H2,1-3H3
InChIKeyJGPKSFCMMCOLCJ-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.76
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine

N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 43225422) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID43225422
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFNO/c1-11-4-7-17(21-3)15(8-11)12(2)20-10-13-9-14(18)5-6-16(13)19/h4-9,12,20H,10H2,1-3H3
InChIKeyJGPKSFCMMCOLCJ-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230890
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60945297
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349676
(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
(1S)-1-(2-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81383795
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 60946076
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine (CID 43225422) is N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(C)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is JGPKSFCMMCOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-11-4-7-17(21-3)15(8-11)12(2)20-10-13-9-14(18)5-6-16(13)19/h4-9,12,20H,10H2,1-3H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 43225422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).