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

C13H19ClFNO — CID 82806801

IUPAC1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(COCC)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H19ClFNO/c1-3-16-11(9-17-4-2)8-10-6-5-7-12(14)13(10)15/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyVNMJNNCIZKKBPL-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.04
Rot. Bonds7

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

1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine (PubChem CID 82806801) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
PubChem CID82806801
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(COCC)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H19ClFNO/c1-3-16-11(9-17-4-2)8-10-6-5-7-12(14)13(10)15/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyVNMJNNCIZKKBPL-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799
1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 82805882
1-(2-chlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214639
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82806184
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 112653814
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736743
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 102867344
2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 102866395

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine (CID 82806801) is 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine is CCNC(COCC)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine?
The InChIKey is VNMJNNCIZKKBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-3-16-11(9-17-4-2)8-10-6-5-7-12(14)13(10)15/h5-7,11,16H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine has a molecular weight of 259.75 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 82806801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).