[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine

C9H10BrF2NO2 — CID 43622273

IUPAC[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OC(F)F
InChIInChI=1S/C9H10BrF2NO2/c1-14-7-3-5(4-13)2-6(10)8(7)15-9(11)12/h2-3,9H,4,13H2,1H3
InChIKeyBFVPQKZWNNVPNN-UHFFFAOYSA-N
MW282.08 g/mol
LogP2.52
Rot. Bonds4

About [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine

[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine (PubChem CID 43622273) has the molecular formula C9H10BrF2NO2 and a molecular weight of 282.08 g/mol. Its IUPAC name is [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
PubChem CID43622273
Molecular FormulaC9H10BrF2NO2
Molecular Weight282.08 g/mol
Exact Mass280.99
IUPAC Name[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OC(F)F
InChIInChI=1S/C9H10BrF2NO2/c1-14-7-3-5(4-13)2-6(10)8(7)15-9(11)12/h2-3,9H,4,13H2,1H3
InChIKeyBFVPQKZWNNVPNN-UHFFFAOYSA-N
XLogP2.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]ethanamine
CID 43622358
(2R)-2-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methylamino]propan-1-ol
CID 110905821
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973
3-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899803
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 78895583
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
1-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120781565
(3-bromo-4-chloro-5-methoxyphenyl)methanamine
CID 122129661
2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N-butylpropanamide
CID 43622242
5-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]pentan-1-ol
CID 55053052
[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60889264

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine?
The IUPAC name of [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine (CID 43622273) is [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Br)c1OC(F)F.
What is the InChIKey of [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine?
The InChIKey is BFVPQKZWNNVPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO2/c1-14-7-3-5(4-13)2-6(10)8(7)15-9(11)12/h2-3,9H,4,13H2,1H3.
What are the key properties of [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine?
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine has a molecular weight of 282.08 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine is sourced from PubChem (CID 43622273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).