N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine

C14H12BrF2N — CID 78981347

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H12BrF2N/c15-13-5-4-11(7-14(13)17)9-18-8-10-2-1-3-12(16)6-10/h1-7,18H,8-9H2
InChIKeyALWKJWPQSVYJFQ-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.02
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine

N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 78981347) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
PubChem CID78981347
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H12BrF2N/c15-13-5-4-11(7-14(13)17)9-18-8-10-2-1-3-12(16)6-10/h1-7,18H,8-9H2
InChIKeyALWKJWPQSVYJFQ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 78981330
2-fluoro-4-[[(3-fluorophenyl)methylamino]methyl]benzoic acid
CID 106699660
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 81436285
N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43658821
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43123260
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43114066
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 78982782
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylsulfinylethanamine
CID 115702492
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
3-[(4-bromo-3-fluorophenyl)methylamino]propanenitrile
CID 81436799

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine (CID 78981347) is N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine is Fc1cccc(CNCc2ccc(Br)c(F)c2)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is ALWKJWPQSVYJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c15-13-5-4-11(7-14(13)17)9-18-8-10-2-1-3-12(16)6-10/h1-7,18H,8-9H2.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine?
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 312.16 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine is sourced from PubChem (CID 78981347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).