N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline

C15H15BrFNO — CID 43672204

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-19-10-12-3-2-4-13(7-12)18-9-11-5-6-15(17)14(16)8-11/h2-8,18H,9-10H2,1H3
InChIKeyLIWZEOMLEUPKMT-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.35
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline

N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline (PubChem CID 43672204) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
PubChem CID43672204
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-19-10-12-3-2-4-13(7-12)18-9-11-5-6-15(17)14(16)8-11/h2-8,18H,9-10H2,1H3
InChIKeyLIWZEOMLEUPKMT-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 115909494
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063
2-fluoro-4-[[3-(methoxymethyl)anilino]methyl]benzoic acid
CID 106699900
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
1-N-[(3-bromo-4-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376523
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 63449936
N-[(5-bromothiophen-3-yl)methyl]-3-(methoxymethyl)aniline
CID 43672271
3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 104775708
4-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 43672139
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline (CID 43672204) is N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline is COCc1cccc(NCc2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline?
The InChIKey is LIWZEOMLEUPKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-19-10-12-3-2-4-13(7-12)18-9-11-5-6-15(17)14(16)8-11/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline?
N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline has a molecular weight of 324.19 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 43672204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).