N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine

C15H15BrFN — CID 43488690

IUPACN-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFN/c1-2-18-15(11-6-8-13(16)9-7-11)12-4-3-5-14(17)10-12/h3-10,15,18H,2H2,1H3
InChIKeySIAJNTBYXRIVFB-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.29
Rot. Bonds4

About N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine

N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine (PubChem CID 43488690) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
PubChem CID43488690
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFN/c1-2-18-15(11-6-8-13(16)9-7-11)12-4-3-5-14(17)10-12/h3-10,15,18H,2H2,1H3
InChIKeySIAJNTBYXRIVFB-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 115792045
N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488718
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041570
N-[(R)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041571
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine (CID 43488690) is N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1cccc(F)c1.
What is the InChIKey of N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is SIAJNTBYXRIVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-2-18-15(11-6-8-13(16)9-7-11)12-4-3-5-14(17)10-12/h3-10,15,18H,2H2,1H3.
What are the key properties of N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine?
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43488690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).