1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

C11H11BrF5NO — CID 60788133

IUPAC1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11BrF5NO/c1-18-9(10(13,14)11(15,16)17)7-4-3-6(19-2)5-8(7)12/h3-5,9,18H,1-2H3
InChIKeySVVDCQDRPKZCDJ-UHFFFAOYSA-N
MW348.11 g/mol
LogP3.92
Rot. Bonds4

About 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (PubChem CID 60788133) has the molecular formula C11H11BrF5NO and a molecular weight of 348.11 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
PubChem CID60788133
Molecular FormulaC11H11BrF5NO
Molecular Weight348.11 g/mol
Exact Mass346.99
IUPAC Name1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11BrF5NO/c1-18-9(10(13,14)11(15,16)17)7-4-3-6(19-2)5-8(7)12/h3-5,9,18H,1-2H3
InChIKeySVVDCQDRPKZCDJ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.11
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 103394560
1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43626707
1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 43561378
1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480
1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 60787977
2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
CID 61081494
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
3-(2-bromo-4-methoxyphenyl)-3-hydroxypropanenitrile
CID 130534305
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2,4-dibromophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 107945123

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (CID 60788133) is 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is CNC(c1ccc(OC)cc1Br)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The InChIKey is SVVDCQDRPKZCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF5NO/c1-18-9(10(13,14)11(15,16)17)7-4-3-6(19-2)5-8(7)12/h3-5,9,18H,1-2H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine has a molecular weight of 348.11 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 60788133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).