1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine

C10H12BrF2NO — CID 116839256

IUPAC1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine
SMILESCOc1ccc(C(F)(F)C(C)N)cc1Br
InChIInChI=1S/C10H12BrF2NO/c1-6(14)10(12,13)7-3-4-9(15-2)8(11)5-7/h3-6H,14H2,1-2H3
InChIKeyHBPXNFNYFDXHPA-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.90
Rot. Bonds3

About 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine

1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine (PubChem CID 116839256) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine
PubChem CID116839256
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine
SMILESCOc1ccc(C(F)(F)C(C)N)cc1Br
InChIInChI=1S/C10H12BrF2NO/c1-6(14)10(12,13)7-3-4-9(15-2)8(11)5-7/h3-6H,14H2,1-2H3
InChIKeyHBPXNFNYFDXHPA-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
3-(3-bromo-4-methoxyphenyl)-3,3-difluoropropanoic acid
CID 116838347
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
[2-bromo-4-(trifluoromethyl)phenyl] methyl carbonate
CID 131988221
2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 82135336
CID 89286430
CID 89286430
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
3-N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120194
(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171248315
3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol
CID 63082229
4-(4-bromo-3-methoxyphenyl)-4,4-difluoro-3-hydroxybutan-2-one
CID 158454999

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine (CID 116839256) is 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine is COc1ccc(C(F)(F)C(C)N)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine?
The InChIKey is HBPXNFNYFDXHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c1-6(14)10(12,13)7-3-4-9(15-2)8(11)5-7/h3-6H,14H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine?
1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine has a molecular weight of 280.11 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 116839256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).