[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine

C14H12BrF2NO — CID 79886388

IUPAC[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(OCc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c15-11-3-1-9(2-4-11)8-19-14-12(16)5-10(7-18)6-13(14)17/h1-6H,7-8,18H2
InChIKeyFQPOMVVAAJDHMH-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.77
Rot. Bonds4

About [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine

[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine (PubChem CID 79886388) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
PubChem CID79886388
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(OCc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c15-11-3-1-9(2-4-11)8-19-14-12(16)5-10(7-18)6-13(14)17/h1-6H,7-8,18H2
InChIKeyFQPOMVVAAJDHMH-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886486
N-[[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882222
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
CID 64720890
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
1-bromo-4-propylbenzene;[4-[(2,6-difluoro-4-propylphenoxy)methyl]phenyl]boronic acid
CID 158865853
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 118408184
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine (CID 79886388) is [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine is NCc1cc(F)c(OCc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine?
The InChIKey is FQPOMVVAAJDHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-11-3-1-9(2-4-11)8-19-14-12(16)5-10(7-18)6-13(14)17/h1-6H,7-8,18H2.
What are the key properties of [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine?
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine has a molecular weight of 328.16 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 79886388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).