N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine

C15H21BrF3NO — CID 82962979

IUPACN-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCCC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C15H21BrF3NO/c1-14(2,3)20-10-13(21-8-7-15(17,18)19)11-5-4-6-12(16)9-11/h4-6,9,13,20H,7-8,10H2,1-3H3
InChIKeyIDUVHAVIJVHKAX-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.85
Rot. Bonds6

About N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine

N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 82962979) has the molecular formula C15H21BrF3NO and a molecular weight of 368.24 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
PubChem CID82962979
Molecular FormulaC15H21BrF3NO
Molecular Weight368.24 g/mol
Exact Mass367.08
IUPAC NameN-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCCC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C15H21BrF3NO/c1-14(2,3)20-10-13(21-8-7-15(17,18)19)11-5-4-6-12(16)9-11/h4-6,9,13,20H,7-8,10H2,1-3H3
InChIKeyIDUVHAVIJVHKAX-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Analyze N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
CID 63474821
1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine
CID 82954803
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
CID 62110255
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63473544
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369
N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine
CID 106323819
N-[(1R)-1-(3-bromophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 115513834
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine (CID 82962979) is N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(OCCC(F)(F)F)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is IDUVHAVIJVHKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF3NO/c1-14(2,3)20-10-13(21-8-7-15(17,18)19)11-5-4-6-12(16)9-11/h4-6,9,13,20H,7-8,10H2,1-3H3.
What are the key properties of N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 368.24 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82962979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).