1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine

C15H23ClFNO — CID 103042996

IUPAC1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H23ClFNO/c1-4-7-18-13(10-19-11(2)3)8-12-5-6-15(17)14(16)9-12/h5-6,9,11,13,18H,4,7-8,10H2,1-3H3
InChIKeyKOTUIBXGQVHVPD-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.81
Rot. Bonds8

About 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine

1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine (PubChem CID 103042996) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
PubChem CID103042996
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H23ClFNO/c1-4-7-18-13(10-19-11(2)3)8-12-5-6-15(17)14(16)9-12/h5-6,9,11,13,18H,4,7-8,10H2,1-3H3
InChIKeyKOTUIBXGQVHVPD-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine (CID 103042996) is 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine is CCCNC(COC(C)C)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The InChIKey is KOTUIBXGQVHVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-7-18-13(10-19-11(2)3)8-12-5-6-15(17)14(16)9-12/h5-6,9,11,13,18H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine is sourced from PubChem (CID 103042996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).