2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine

C15H15BrFN — CID 62602021

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFN/c1-10-3-2-4-12(7-10)15(18)8-11-5-6-13(16)9-14(11)17/h2-7,9,15H,8,18H2,1H3
InChIKeyZVSZMHKDHVQXDW-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.14
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine (PubChem CID 62602021) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
PubChem CID62602021
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFN/c1-10-3-2-4-12(7-10)15(18)8-11-5-6-13(16)9-14(11)17/h2-7,9,15H,8,18H2,1H3
InChIKeyZVSZMHKDHVQXDW-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606235
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115844753
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine (CID 62602021) is 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine is Cc1cccc(C(N)Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is ZVSZMHKDHVQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-3-2-4-12(7-10)15(18)8-11-5-6-13(16)9-14(11)17/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 62602021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).