1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine

C18H21BrFN — CID 43484374

IUPAC1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H21BrFN/c1-3-4-5-13-6-8-14(9-7-13)18(21-2)16-11-10-15(20)12-17(16)19/h6-12,18,21H,3-5H2,1-2H3
InChIKeyLIHLIZBNQMBIDR-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.24
Rot. Bonds6

About 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine

1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine (PubChem CID 43484374) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
PubChem CID43484374
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H21BrFN/c1-3-4-5-13-6-8-14(9-7-13)18(21-2)16-11-10-15(20)12-17(16)19/h6-12,18,21H,3-5H2,1-2H3
InChIKeyLIHLIZBNQMBIDR-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
CID 63427122
2-bromo-1-[(4-butylphenyl)-chloromethyl]-4-fluorobenzene
CID 63431902
1-(2,4-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107945722
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 81110681
1-(2,4-dibromophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 107945033
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484333
(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
CID 43096393
1-[(4-butylphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63431388
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488718

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine (CID 43484374) is 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine is CCCCc1ccc(C(NC)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine?
The InChIKey is LIHLIZBNQMBIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-3-4-5-13-6-8-14(9-7-13)18(21-2)16-11-10-15(20)12-17(16)19/h6-12,18,21H,3-5H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine?
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine has a molecular weight of 350.28 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43484374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).