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

C9H10BrF2N — CID 127010991

IUPAC1-(2-bromo-3,6-difluorophenyl)propan-2-amine
SMILESCC(N)Cc1c(F)ccc(F)c1Br
InChIInChI=1S/C9H10BrF2N/c1-5(13)4-6-7(11)2-3-8(12)9(6)10/h2-3,5H,4,13H2,1H3
InChIKeyZMUKOGBXRJMXPF-UHFFFAOYSA-N
MW250.09 g/mol
LogP2.62
Rot. Bonds2

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

1-(2-bromo-3,6-difluorophenyl)propan-2-amine (PubChem CID 127010991) has the molecular formula C9H10BrF2N and a molecular weight of 250.09 g/mol. Its IUPAC name is 1-(2-bromo-3,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3,6-difluorophenyl)propan-2-amine
PubChem CID127010991
Molecular FormulaC9H10BrF2N
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name1-(2-bromo-3,6-difluorophenyl)propan-2-amine
SMILESCC(N)Cc1c(F)ccc(F)c1Br
InChIInChI=1S/C9H10BrF2N/c1-5(13)4-6-7(11)2-3-8(12)9(6)10/h2-3,5H,4,13H2,1H3
InChIKeyZMUKOGBXRJMXPF-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 52.62
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

1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067
1-(2,3,6-trifluorophenyl)propan-2-amine
CID 55253455
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
(2-bromo-3,6-difluorophenyl)methanamine
CID 124707320
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809
4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117445537
4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine
CID 156757492
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 106269159
1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine
CID 114066108
3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid
CID 84811125

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,6-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-3,6-difluorophenyl)propan-2-amine (CID 127010991) is 1-(2-bromo-3,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-3,6-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-3,6-difluorophenyl)propan-2-amine is CC(N)Cc1c(F)ccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,6-difluorophenyl)propan-2-amine?
The InChIKey is ZMUKOGBXRJMXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N/c1-5(13)4-6-7(11)2-3-8(12)9(6)10/h2-3,5H,4,13H2,1H3.
What are the key properties of 1-(2-bromo-3,6-difluorophenyl)propan-2-amine?
1-(2-bromo-3,6-difluorophenyl)propan-2-amine has a molecular weight of 250.09 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 127010991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).