2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine

C16H17ClFNO — CID 82806691

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-2-20-13-8-6-11(7-9-13)15(19)10-12-4-3-5-14(17)16(12)18/h3-9,15H,2,10,19H2,1H3
InChIKeySDXHSWFRCKSVIV-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.12
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine (PubChem CID 82806691) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
PubChem CID82806691
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-2-20-13-8-6-11(7-9-13)15(19)10-12-4-3-5-14(17)16(12)18/h3-9,15H,2,10,19H2,1H3
InChIKeySDXHSWFRCKSVIV-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine 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-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 82787670
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 102867085
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
CID 116545044
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine (CID 82806691) is 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(N)Cc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is SDXHSWFRCKSVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-20-13-8-6-11(7-9-13)15(19)10-12-4-3-5-14(17)16(12)18/h3-9,15H,2,10,19H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 82806691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).