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

C10H14FNO — CID 28917625

IUPAC2-(3-fluorophenoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-10(2,7-12)13-9-5-3-4-8(11)6-9/h3-6H,7,12H2,1-2H3
InChIKeyCQBJAHUCMPKNMS-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.94
Rot. Bonds3

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

2-(3-fluorophenoxy)-2-methylpropan-1-amine (PubChem CID 28917625) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-2-methylpropan-1-amine
PubChem CID28917625
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-(3-fluorophenoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-10(2,7-12)13-9-5-3-4-8(11)6-9/h3-6H,7,12H2,1-2H3
InChIKeyCQBJAHUCMPKNMS-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenoxy)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62352644
3-(3-fluorophenoxy)-3-methylbutanenitrile
CID 82075815
2-(3-chloro-4-fluorophenoxy)-2-methylpropan-1-amine
CID 63878843
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
O-(3-fluorophenyl)hydroxylamine;propane
CID 23134075
difluoro-(3-fluorophenoxy)methanol
CID 143474773
2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine
CID 163732576
1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene
CID 167170800
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine
CID 63487662

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-fluorophenoxy)-2-methylpropan-1-amine (CID 28917625) is 2-(3-fluorophenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-fluorophenoxy)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-fluorophenoxy)-2-methylpropan-1-amine is CC(C)(CN)Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-2-methylpropan-1-amine?
The InChIKey is CQBJAHUCMPKNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(2,7-12)13-9-5-3-4-8(11)6-9/h3-6H,7,12H2,1-2H3.
What are the key properties of 2-(3-fluorophenoxy)-2-methylpropan-1-amine?
2-(3-fluorophenoxy)-2-methylpropan-1-amine has a molecular weight of 183.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 28917625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).