(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine

C15H13BrF3NO — CID 164523179

IUPAC(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@](N)(c2ccc(Br)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13BrF3NO/c1-21-13-8-4-11(5-9-13)14(20,15(17,18)19)10-2-6-12(16)7-3-10/h2-9H,20H2,1H3/t14-/m1/s1
InChIKeyKDYQCFNPBIIXJQ-CQSZACIVSA-N
MW360.17 g/mol
LogP4.22
Rot. Bonds3

About (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine

(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine (PubChem CID 164523179) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
PubChem CID164523179
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@](N)(c2ccc(Br)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13BrF3NO/c1-21-13-8-4-11(5-9-13)14(20,15(17,18)19)10-2-6-12(16)7-3-10/h2-9H,20H2,1H3/t14-/m1/s1
InChIKeyKDYQCFNPBIIXJQ-CQSZACIVSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine 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

2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 175254139
(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 164523189
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
CID 154711398
1-bromo-4-(4-bromophenoxy)benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 91234372
(2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine
CID 157332352
4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
CID 164894616
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene
CID 155895177
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine (CID 164523179) is (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@](N)(c2ccc(Br)cc2)C(F)(F)F)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
The InChIKey is KDYQCFNPBIIXJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c1-21-13-8-4-11(5-9-13)14(20,15(17,18)19)10-2-6-12(16)7-3-10/h2-9H,20H2,1H3/t14-/m1/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine has a molecular weight of 360.17 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 164523179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).