1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C14H19BrF3NO — CID 103214582

IUPAC1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrF3NO/c1-2-6-19-13(9-20-10-14(16,17)18)8-11-4-3-5-12(15)7-11/h3-5,7,13,19H,2,6,8-10H2,1H3
InChIKeyOYMJIBOHHRBOEI-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.94
Rot. Bonds8

About 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103214582) has the molecular formula C14H19BrF3NO and a molecular weight of 354.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103214582
Molecular FormulaC14H19BrF3NO
Molecular Weight354.21 g/mol
Exact Mass353.06
IUPAC Name1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrF3NO/c1-2-6-19-13(9-20-10-14(16,17)18)8-11-4-3-5-12(15)7-11/h3-5,7,13,19H,2,6,8-10H2,1H3
InChIKeyOYMJIBOHHRBOEI-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-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

1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
1-(3-chloro-4-fluorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216598
1-(3-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475617
1-(5-bromothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214960
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
1-(2,3-dichlorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309194
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66047440
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103214582) is 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCNC(COCC(F)(F)F)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is OYMJIBOHHRBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3NO/c1-2-6-19-13(9-20-10-14(16,17)18)8-11-4-3-5-12(15)7-11/h3-5,7,13,19H,2,6,8-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 354.21 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103214582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).