4-(3-bromo-2,6-difluorophenyl)butan-2-amine

C10H12BrF2N — CID 106943489

IUPAC4-(3-bromo-2,6-difluorophenyl)butan-2-amine
SMILESCC(N)CCc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H12BrF2N/c1-6(14)2-3-7-9(12)5-4-8(11)10(7)13/h4-6H,2-3,14H2,1H3
InChIKeyULSBPDQUAKTTGS-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.01
Rot. Bonds3

About 4-(3-bromo-2,6-difluorophenyl)butan-2-amine

4-(3-bromo-2,6-difluorophenyl)butan-2-amine (PubChem CID 106943489) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 4-(3-bromo-2,6-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-bromo-2,6-difluorophenyl)butan-2-amine
PubChem CID106943489
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name4-(3-bromo-2,6-difluorophenyl)butan-2-amine
SMILESCC(N)CCc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H12BrF2N/c1-6(14)2-3-7-9(12)5-4-8(11)10(7)13/h4-6H,2-3,14H2,1H3
InChIKeyULSBPDQUAKTTGS-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-2,6-difluorophenyl)-2-methylbutanoic acid
CID 106273954
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
1-bromo-3-(3-chloro-4,4-dimethylpentyl)-2,4-difluorobenzene
CID 106943580
2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]propan-1-amine
CID 106264259
6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
CID 106273091
1-(3-bromo-2,6-difluorophenyl)octan-2-amine
CID 106274291
1-(3-bromo-2,6-difluorophenyl)decan-2-amine
CID 106274012
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
1-(3-bromo-2,6-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 106267503
1-(3-bromo-2,6-difluorophenyl)-4-phenylbutan-2-amine
CID 106267021
6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
CID 114166902
3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
CID 106943498

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,6-difluorophenyl)butan-2-amine?
The IUPAC name of 4-(3-bromo-2,6-difluorophenyl)butan-2-amine (CID 106943489) is 4-(3-bromo-2,6-difluorophenyl)butan-2-amine.
What is the SMILES notation for 4-(3-bromo-2,6-difluorophenyl)butan-2-amine?
The canonical SMILES for 4-(3-bromo-2,6-difluorophenyl)butan-2-amine is CC(N)CCc1c(F)ccc(Br)c1F.
What is the InChIKey of 4-(3-bromo-2,6-difluorophenyl)butan-2-amine?
The InChIKey is ULSBPDQUAKTTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-6(14)2-3-7-9(12)5-4-8(11)10(7)13/h4-6H,2-3,14H2,1H3.
What are the key properties of 4-(3-bromo-2,6-difluorophenyl)butan-2-amine?
4-(3-bromo-2,6-difluorophenyl)butan-2-amine has a molecular weight of 264.11 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,6-difluorophenyl)butan-2-amine is sourced from PubChem (CID 106943489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).