1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine

C17H19BrFN — CID 43484899

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-3-4-12-5-7-13(8-6-12)17(20-2)15-11-14(18)9-10-16(15)19/h5-11,17,20H,3-4H2,1-2H3
InChIKeyHBBFFENRRHJZPN-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.85
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine

1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine (PubChem CID 43484899) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
PubChem CID43484899
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-3-4-12-5-7-13(8-6-12)17(20-2)15-11-14(18)9-10-16(15)19/h5-11,17,20H,3-4H2,1-2H3
InChIKeyHBBFFENRRHJZPN-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107945722
1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43629813
[(4-bromo-2-fluorophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105280828
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107975019
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
[(2-fluoro-5-methylphenyl)-(4-propylphenyl)methyl]hydrazine
CID 105303758
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 43489424
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479930
3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline
CID 116951972
N-[(5-bromo-2-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43494987

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine (CID 43484899) is 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine is CCCc1ccc(C(NC)c2cc(Br)ccc2F)cc1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine?
The InChIKey is HBBFFENRRHJZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-4-12-5-7-13(8-6-12)17(20-2)15-11-14(18)9-10-16(15)19/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine?
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine has a molecular weight of 336.25 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 43484899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).