1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine

C17H19ClFNO — CID 105086778

IUPAC1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(COc1cccc(Cl)c1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19ClFNO/c1-2-20-16(10-13-6-8-15(19)9-7-13)12-21-17-5-3-4-14(18)11-17/h3-9,11,16,20H,2,10,12H2,1H3
InChIKeyJAQDQGASWYTWRF-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.08
Rot. Bonds7

About 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine

1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (PubChem CID 105086778) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
PubChem CID105086778
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
SMILESCCNC(COc1cccc(Cl)c1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19ClFNO/c1-2-20-16(10-13-6-8-15(19)9-7-13)12-21-17-5-3-4-14(18)11-17/h3-9,11,16,20H,2,10,12H2,1H3
InChIKeyJAQDQGASWYTWRF-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105087367
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
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CID 114984084
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine
CID 105158513
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373667
1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 105138600

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine (CID 105086778) is 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is CCNC(COc1cccc(Cl)c1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
The InChIKey is JAQDQGASWYTWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-2-20-16(10-13-6-8-15(19)9-7-13)12-21-17-5-3-4-14(18)11-17/h3-9,11,16,20H,2,10,12H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine?
1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 105086778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).