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

C12H17ClFNO — CID 112653814

IUPAC1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
SMILESCCOCC(Cc1cccc(F)c1Cl)NC
InChIInChI=1S/C12H17ClFNO/c1-3-16-8-10(15-2)7-9-5-4-6-11(14)12(9)13/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyLHRFQTZMYAPCMM-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.65
Rot. Bonds6

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

1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine (PubChem CID 112653814) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
PubChem CID112653814
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
SMILESCCOCC(Cc1cccc(F)c1Cl)NC
InChIInChI=1S/C12H17ClFNO/c1-3-16-8-10(15-2)7-9-5-4-6-11(14)12(9)13/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyLHRFQTZMYAPCMM-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-methylpropan-2-amine
CID 82805467
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309192
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721172
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178828
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine (CID 112653814) is 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine is CCOCC(Cc1cccc(F)c1Cl)NC.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine?
The InChIKey is LHRFQTZMYAPCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-3-16-8-10(15-2)7-9-5-4-6-11(14)12(9)13/h4-6,10,15H,3,7-8H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine?
1-(2-chloro-3-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-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine is sourced from PubChem (CID 112653814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).