N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline

C15H15BrFNO — CID 43672063

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-19-10-11-3-2-4-14(7-11)18-9-12-8-13(16)5-6-15(12)17/h2-8,18H,9-10H2,1H3
InChIKeyNQCBMMCEDZUXRA-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.35
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline

N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline (PubChem CID 43672063) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
PubChem CID43672063
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-19-10-11-3-2-4-14(7-11)18-9-12-8-13(16)5-6-15(12)17/h2-8,18H,9-10H2,1H3
InChIKeyNQCBMMCEDZUXRA-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

N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672204
3-N-[(5-bromo-2-fluorophenyl)methyl]benzene-1,3-diamine
CID 61299854
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
CID 82858279
N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43732956
2-fluoro-3-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 107114498
2-[3-[(5-bromo-2-fluorophenyl)methylamino]phenoxy]acetonitrile
CID 43721105

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline (CID 43672063) is N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline is COCc1cccc(NCc2cc(Br)ccc2F)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline?
The InChIKey is NQCBMMCEDZUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-19-10-11-3-2-4-14(7-11)18-9-12-8-13(16)5-6-15(12)17/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline?
N-[(5-bromo-2-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-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 43672063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).