N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine

C16H17BrFNO — CID 43225807

IUPACN-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccccc2Br)cc1F
InChIInChI=1S/C16H17BrFNO/c1-11(12-7-8-16(20-2)15(18)9-12)19-10-13-5-3-4-6-14(13)17/h3-9,11,19H,10H2,1-2H3
InChIKeyOZBPOECYENRFLE-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.45
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine

N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 43225807) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID43225807
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccccc2Br)cc1F
InChIInChI=1S/C16H17BrFNO/c1-11(12-7-8-16(20-2)15(18)9-12)19-10-13-5-3-4-6-14(13)17/h3-9,11,19H,10H2,1-2H3
InChIKeyOZBPOECYENRFLE-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-[(2-bromo-5-chlorophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 66159340
1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 43230865
1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47010201
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
2-bromo-4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]phenol
CID 60669278
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225812
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230891
N-[(4-chloro-2-methylphenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 104853881
N-[(5-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230890
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82884552
2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324555

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 43225807) is N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCc2ccccc2Br)cc1F.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is OZBPOECYENRFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(12-7-8-16(20-2)15(18)9-12)19-10-13-5-3-4-6-14(13)17/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-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-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 43225807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).