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

C9H10BrF2NO — CID 73407272

IUPAC1-(6-bromo-2,3-difluorophenoxy)propan-2-amine
SMILESCC(N)COc1c(Br)ccc(F)c1F
InChIInChI=1S/C9H10BrF2NO/c1-5(13)4-14-9-6(10)2-3-7(11)8(9)12/h2-3,5H,4,13H2,1H3
InChIKeyFQYAZMQDZJNMPK-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.45
Rot. Bonds3

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

1-(6-bromo-2,3-difluorophenoxy)propan-2-amine (PubChem CID 73407272) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 1-(6-bromo-2,3-difluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(6-bromo-2,3-difluorophenoxy)propan-2-amine
PubChem CID73407272
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name1-(6-bromo-2,3-difluorophenoxy)propan-2-amine
SMILESCC(N)COc1c(Br)ccc(F)c1F
InChIInChI=1S/C9H10BrF2NO/c1-5(13)4-14-9-6(10)2-3-7(11)8(9)12/h2-3,5H,4,13H2,1H3
InChIKeyFQYAZMQDZJNMPK-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
CID 103289142
1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489
5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride
CID 170915770
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262544
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
(2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine
CID 69317048

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-difluorophenoxy)propan-2-amine?
The IUPAC name of 1-(6-bromo-2,3-difluorophenoxy)propan-2-amine (CID 73407272) is 1-(6-bromo-2,3-difluorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(6-bromo-2,3-difluorophenoxy)propan-2-amine?
The canonical SMILES for 1-(6-bromo-2,3-difluorophenoxy)propan-2-amine is CC(N)COc1c(Br)ccc(F)c1F.
What is the InChIKey of 1-(6-bromo-2,3-difluorophenoxy)propan-2-amine?
The InChIKey is FQYAZMQDZJNMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5(13)4-14-9-6(10)2-3-7(11)8(9)12/h2-3,5H,4,13H2,1H3.
What are the key properties of 1-(6-bromo-2,3-difluorophenoxy)propan-2-amine?
1-(6-bromo-2,3-difluorophenoxy)propan-2-amine has a molecular weight of 266.08 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-difluorophenoxy)propan-2-amine is sourced from PubChem (CID 73407272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).