1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine

C12H17ClFNO — CID 103039293

IUPAC1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine
SMILESCCOCC(C)(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO/c1-3-16-8-12(2,15)7-9-4-5-11(14)10(13)6-9/h4-6H,3,7-8,15H2,1-2H3
InChIKeyAMNOAFWLZKLKHZ-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.78
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine

1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine (PubChem CID 103039293) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine
PubChem CID103039293
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine
SMILESCCOCC(C)(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO/c1-3-16-8-12(2,15)7-9-4-5-11(14)10(13)6-9/h4-6H,3,7-8,15H2,1-2H3
InChIKeyAMNOAFWLZKLKHZ-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 103039245
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine
CID 113493311
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
3-(3-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 103041034
1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 82649708
2-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutanenitrile
CID 103041867
2-chloro-1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
CID 135141219
N-tert-butyl-2-[(3-chloro-4-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 103041062
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 103042129
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465196

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine (CID 103039293) is 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine is CCOCC(C)(N)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine?
The InChIKey is AMNOAFWLZKLKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-3-16-8-12(2,15)7-9-4-5-11(14)10(13)6-9/h4-6H,3,7-8,15H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine?
1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine has a molecular weight of 245.72 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-ethoxy-2-methylpropan-2-amine is sourced from PubChem (CID 103039293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).