N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine

C14H19BrF3NO — CID 66274861

IUPACN-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OC(C)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrF3NO/c1-9(2)19-8-13(20-10(3)14(16,17)18)11-4-6-12(15)7-5-11/h4-7,9-10,13,19H,8H2,1-3H3
InChIKeyDWMZZKHUYMPOCS-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine

N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine (PubChem CID 66274861) has the molecular formula C14H19BrF3NO and a molecular weight of 354.21 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine
PubChem CID66274861
Molecular FormulaC14H19BrF3NO
Molecular Weight354.21 g/mol
Exact Mass353.06
IUPAC NameN-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OC(C)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrF3NO/c1-9(2)19-8-13(20-10(3)14(16,17)18)11-4-6-12(15)7-5-11/h4-7,9-10,13,19H,8H2,1-3H3
InChIKeyDWMZZKHUYMPOCS-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine (CID 66274861) is N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine is CC(C)NCC(OC(C)C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine?
The InChIKey is DWMZZKHUYMPOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3NO/c1-9(2)19-8-13(20-10(3)14(16,17)18)11-4-6-12(15)7-5-11/h4-7,9-10,13,19H,8H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine?
N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine has a molecular weight of 354.21 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-2-amine is sourced from PubChem (CID 66274861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).