3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine

C10H12BrF2N — CID 106943498

IUPAC3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
SMILESCNCCCc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H12BrF2N/c1-14-6-2-3-7-9(12)5-4-8(11)10(7)13/h4-5,14H,2-3,6H2,1H3
InChIKeyNWUVZDUBCFFFIZ-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.88
Rot. Bonds4

About 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine

3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine (PubChem CID 106943498) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
PubChem CID106943498
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
SMILESCNCCCc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H12BrF2N/c1-14-6-2-3-7-9(12)5-4-8(11)10(7)13/h4-5,14H,2-3,6H2,1H3
InChIKeyNWUVZDUBCFFFIZ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
CID 114166902
2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine
CID 106264551
1-(3-bromo-2,6-difluorophenyl)-N-propylheptan-4-amine
CID 106272992
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
CID 106273091
2-(3-bromo-2,6-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 106943435
2-(3-bromo-6-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902100
1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489
1-(3-bromo-2,6-difluorophenyl)-3-(methylamino)propan-2-one
CID 106272492
N-[(3-bromo-2,6-difluorophenyl)methyl]pentan-1-amine
CID 106263073
4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine
CID 106273011

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine (CID 106943498) is 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine is CNCCCc1c(F)ccc(Br)c1F.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine?
The InChIKey is NWUVZDUBCFFFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-14-6-2-3-7-9(12)5-4-8(11)10(7)13/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine?
3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine has a molecular weight of 264.11 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 106943498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).