3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine

C16H23ClFNO — CID 107885188

IUPAC3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C(OCC)C1CC1
InChIInChI=1S/C16H23ClFNO/c1-3-19-15(16(20-4-2)12-6-7-12)10-11-5-8-13(17)14(18)9-11/h5,8-9,12,15-16,19H,3-4,6-7,10H2,1-2H3
InChIKeyWRHKFTSQBMOCDR-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.81
Rot. Bonds8

About 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine

3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine (PubChem CID 107885188) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
PubChem CID107885188
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C(OCC)C1CC1
InChIInChI=1S/C16H23ClFNO/c1-3-19-15(16(20-4-2)12-6-7-12)10-11-5-8-13(17)14(18)9-11/h5,8-9,12,15-16,19H,3-4,6-7,10H2,1-2H3
InChIKeyWRHKFTSQBMOCDR-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723730
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625
3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 107891920
3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 103040498
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine (CID 107885188) is 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine is CCNC(Cc1ccc(Cl)c(F)c1)C(OCC)C1CC1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
The InChIKey is WRHKFTSQBMOCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-3-19-15(16(20-4-2)12-6-7-12)10-11-5-8-13(17)14(18)9-11/h5,8-9,12,15-16,19H,3-4,6-7,10H2,1-2H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine?
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine has a molecular weight of 299.82 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 107885188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).