1-(3-bromo-2,6-difluorophenyl)pentan-1-amine

C11H14BrF2N — CID 103947002

IUPAC1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
SMILESCCCCC(N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2N/c1-2-3-4-9(15)10-8(13)6-5-7(12)11(10)14/h5-6,9H,2-4,15H2,1H3
InChIKeyONEALLAHLPMFPW-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.92
Rot. Bonds4

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

1-(3-bromo-2,6-difluorophenyl)pentan-1-amine (PubChem CID 103947002) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
PubChem CID103947002
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
SMILESCCCCC(N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2N/c1-2-3-4-9(15)10-8(13)6-5-7(12)11(10)14/h5-6,9H,2-4,15H2,1H3
InChIKeyONEALLAHLPMFPW-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.92
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

(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
CID 171205160
(1R,2S)-1-amino-1-(3-bromo-2,6-difluorophenyl)hexan-2-ol
CID 171262488
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171268162
(1R)-1-(2,3,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171205100
1-(3-bromo-2,6-difluorophenyl)-3-methylsulfanylpropan-1-amine
CID 106944684
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067
1-(3-bromo-2,6-difluorophenyl)-N-propylpentan-1-amine
CID 106942793
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171200915

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)pentan-1-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)pentan-1-amine (CID 103947002) is 1-(3-bromo-2,6-difluorophenyl)pentan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)pentan-1-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)pentan-1-amine is CCCCC(N)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)pentan-1-amine?
The InChIKey is ONEALLAHLPMFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-2-3-4-9(15)10-8(13)6-5-7(12)11(10)14/h5-6,9H,2-4,15H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)pentan-1-amine?
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine has a molecular weight of 278.14 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)pentan-1-amine is sourced from PubChem (CID 103947002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).