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

C12H17ClFNO — CID 82805467

IUPAC1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
SMILESCCOCC(Cc1cccc(Cl)c1F)NC
InChIInChI=1S/C12H17ClFNO/c1-3-16-8-10(15-2)7-9-5-4-6-11(13)12(9)14/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyOCKUIEZOUPHWJI-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.65
Rot. Bonds6

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

1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine (PubChem CID 82805467) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
PubChem CID82805467
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
SMILESCCOCC(Cc1cccc(Cl)c1F)NC
InChIInChI=1S/C12H17ClFNO/c1-3-16-8-10(15-2)7-9-5-4-6-11(13)12(9)14/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyOCKUIEZOUPHWJI-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 112653814
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
CID 82805465
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148263
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 102857527
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine (CID 82805467) is 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine is CCOCC(Cc1cccc(Cl)c1F)NC.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine?
The InChIKey is OCKUIEZOUPHWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-3-16-8-10(15-2)7-9-5-4-6-11(13)12(9)14/h4-6,10,15H,3,7-8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine has a molecular weight of 245.72 g/mol, XLogP of 2.65, 6 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-methylpropan-2-amine is sourced from PubChem (CID 82805467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).