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

C15H21BrF3NO — CID 66274425

IUPACN-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCC(OC(CNC(C)(C)C)c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C15H21BrF3NO/c1-10(15(17,18)19)21-13(9-20-14(2,3)4)11-5-7-12(16)8-6-11/h5-8,10,13,20H,9H2,1-4H3
InChIKeyCQRMNPMDUAHZLL-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.85
Rot. Bonds5

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

N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine (PubChem CID 66274425) has the molecular formula C15H21BrF3NO and a molecular weight of 368.24 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine
PubChem CID66274425
Molecular FormulaC15H21BrF3NO
Molecular Weight368.24 g/mol
Exact Mass367.08
IUPAC NameN-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCC(OC(CNC(C)(C)C)c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C15H21BrF3NO/c1-10(15(17,18)19)21-13(9-20-14(2,3)4)11-5-7-12(16)8-6-11/h5-8,10,13,20H,9H2,1-4H3
InChIKeyCQRMNPMDUAHZLL-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.85
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]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine (CID 66274425) is N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine is CC(OC(CNC(C)(C)C)c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is CQRMNPMDUAHZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF3NO/c1-10(15(17,18)19)21-13(9-20-14(2,3)4)11-5-7-12(16)8-6-11/h5-8,10,13,20H,9H2,1-4H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine?
N-[2-(4-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 368.24 g/mol, XLogP of 4.85, 5 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]-2-methylpropan-2-amine is sourced from PubChem (CID 66274425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).