N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine

C16H17BrFN — CID 79704190

IUPACN-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C16H17BrFN/c1-3-19-16(12-4-6-14(17)7-5-12)13-8-11(2)9-15(18)10-13/h4-10,16,19H,3H2,1-2H3
InChIKeyFJQFPRCJFYTMAU-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.60
Rot. Bonds4

About N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine

N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 79704190) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID79704190
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC NameN-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C16H17BrFN/c1-3-19-16(12-4-6-14(17)7-5-12)13-8-11(2)9-15(18)10-13/h4-10,16,19H,3H2,1-2H3
InChIKeyFJQFPRCJFYTMAU-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79704331
N-[(4-bromo-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016605
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 43494532
N-[(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016507
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(2,6-dimethyl-4-pyridinyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107503885
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016496
N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130305
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine (CID 79704190) is N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1cc(C)cc(F)c1.
What is the InChIKey of N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is FJQFPRCJFYTMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-3-19-16(12-4-6-14(17)7-5-12)13-8-11(2)9-15(18)10-13/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine?
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.60, 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-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 79704190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).