1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine

C15H14BrFN2O2 — CID 107348163

IUPAC1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C15H14BrFN2O2/c1-18(9-11-5-7-13(16)8-6-11)10-12-3-2-4-14(15(12)17)19(20)21/h2-8H,9-10H2,1H3
InChIKeySGFQPPNBTGWTGN-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.13
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine

1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine (PubChem CID 107348163) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine
PubChem CID107348163
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C15H14BrFN2O2/c1-18(9-11-5-7-13(16)8-6-11)10-12-3-2-4-14(15(12)17)19(20)21/h2-8H,9-10H2,1H3
InChIKeySGFQPPNBTGWTGN-UHFFFAOYSA-N
XLogP4.13
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-3-nitrophenyl)methyl]-N,2,2-trimethylpropan-1-amine
CID 107348267
1-(4-bromophenyl)-3-(2-fluoro-3-nitrophenyl)propan-2-amine
CID 107353655
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
methyl 2-[(2-fluoro-3-nitrophenyl)methyl-methylamino]acetate
CID 107350578
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
methyl 4-[(2-fluoro-3-nitrophenyl)methyl-methylamino]butanoate
CID 107350585
N-[(2-fluoro-3-nitrophenyl)methyl]-N,2,4-trimethylaniline
CID 107348277
CID 159928766
CID 159928766
2-amino-6-[[(4-bromophenyl)methyl-methylamino]methyl]benzoic acid
CID 104824428
4-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
CID 107348198
N-[[4-(4-bromophenoxy)phenyl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-methyl-3-nitroaniline
CID 18511981

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine (CID 107348163) is 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine is CN(Cc1ccc(Br)cc1)Cc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine?
The InChIKey is SGFQPPNBTGWTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-18(9-11-5-7-13(16)8-6-11)10-12-3-2-4-14(15(12)17)19(20)21/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine?
1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine has a molecular weight of 353.19 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 107348163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).