3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine

C10H12BrF2N — CID 103759748

IUPAC3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)C(F)F
InChIInChI=1S/C10H12BrF2N/c1-14-9(10(12)13)6-7-3-2-4-8(11)5-7/h2-5,9-10,14H,6H2,1H3
InChIKeyOKBFZBCOABBPTJ-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.84
Rot. Bonds4

About 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine

3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 103759748) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID103759748
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)C(F)F
InChIInChI=1S/C10H12BrF2N/c1-14-9(10(12)13)6-7-3-2-4-8(11)5-7/h2-5,9-10,14H,6H2,1H3
InChIKeyOKBFZBCOABBPTJ-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-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-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528117
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448
1-bromo-3-(3-bromo-2-fluoropropyl)benzene
CID 122239684
1-(3-bromophenyl)-N,3-dimethylbut-3-en-2-amine
CID 79189739
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
CID 169435063
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 103039859
[1-(3-bromophenyl)-3-methylhexan-2-yl]hydrazine
CID 105284586

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine (CID 103759748) is 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine is CNC(Cc1cccc(Br)c1)C(F)F.
What is the InChIKey of 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is OKBFZBCOABBPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-14-9(10(12)13)6-7-3-2-4-8(11)5-7/h2-5,9-10,14H,6H2,1H3.
What are the key properties of 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine?
3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 264.11 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 103759748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).