2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine

C10H13ClFNO — CID 116688788

IUPAC2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-10(2,6-13)14-8-5-3-4-7(11)9(8)12/h3-5H,6,13H2,1-2H3
InChIKeySIFAKHBYOIINDY-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine

2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine (PubChem CID 116688788) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
PubChem CID116688788
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-10(2,6-13)14-8-5-3-4-7(11)9(8)12/h3-5H,6,13H2,1-2H3
InChIKeySIFAKHBYOIINDY-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-fluoro-3-(trichloromethoxy)benzene
CID 71669471
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
2-(1-amino-2-methylpropan-2-yl)oxyaniline
CID 117095493
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol
CID 116689725
2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid
CID 116688443
2-(3-chloro-4-fluorophenoxy)-2-methylpropan-1-amine
CID 63878843
1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400
2-(3-fluorophenoxy)-2-methylpropan-1-amine
CID 28917625
1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene
CID 70807903

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine (CID 116688788) is 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine is CC(C)(CN)Oc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine?
The InChIKey is SIFAKHBYOIINDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-10(2,6-13)14-8-5-3-4-7(11)9(8)12/h3-5H,6,13H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine?
2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine has a molecular weight of 217.67 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 116688788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).