3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine

C13H20FNO — CID 95447001

IUPAC3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCCOc1ccc(CC(C)(C)CN)cc1F
InChIInChI=1S/C13H20FNO/c1-4-16-12-6-5-10(7-11(12)14)8-13(2,3)9-15/h5-7H,4,8-9,15H2,1-3H3
InChIKeyLBQZBBZHZHCPOX-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.75
Rot. Bonds5

About 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine

3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 95447001) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID95447001
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCCOc1ccc(CC(C)(C)CN)cc1F
InChIInChI=1S/C13H20FNO/c1-4-16-12-6-5-10(7-11(12)14)8-13(2,3)9-15/h5-7H,4,8-9,15H2,1-3H3
InChIKeyLBQZBBZHZHCPOX-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200177
2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine
CID 156509242
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225
3-[(4-ethoxy-3-fluorophenyl)methyl]aniline
CID 116925771
4-(4-ethoxy-3-fluorophenyl)-3-methylbutan-1-amine
CID 116924857
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
2-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840428
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 95447001) is 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine is CCOc1ccc(CC(C)(C)CN)cc1F.
What is the InChIKey of 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is LBQZBBZHZHCPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-16-12-6-5-10(7-11(12)14)8-13(2,3)9-15/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine?
3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 95447001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).