(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine

C25H26F3NO2 — CID 10387924

IUPAC(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
SMILESCOCCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H26F3NO2/c1-18(20-6-4-3-5-7-20)29-17-19-8-13-24(31-15-14-30-2)23(16-19)21-9-11-22(12-10-21)25(26,27)28/h3-13,16,18,29H,14-15,17H2,1-2H3/t18-/m1/s1
InChIKeyDNJNIVCXNVKPGI-GOSISDBHSA-N
MW429.48 g/mol
LogP6.25
Rot. Bonds9

About (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine

(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine (PubChem CID 10387924) has the molecular formula C25H26F3NO2 and a molecular weight of 429.48 g/mol. Its IUPAC name is (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
PubChem CID10387924
Molecular FormulaC25H26F3NO2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
SMILESCOCCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H26F3NO2/c1-18(20-6-4-3-5-7-20)29-17-19-8-13-24(31-15-14-30-2)23(16-19)21-9-11-22(12-10-21)25(26,27)28/h3-13,16,18,29H,14-15,17H2,1-2H3/t18-/m1/s1
InChIKeyDNJNIVCXNVKPGI-GOSISDBHSA-N
XLogP6.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine 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

(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 10452724
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 21087524
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 69464607
N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 20803287
N-[[4-methoxy-3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 22391479
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
(1R)-N-[[4-(2-methoxyethoxy)-3-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 163589732
1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 112831409
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
(1R)-1-(4-fluoro-3-methoxyphenyl)-N-[[4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]methyl]ethanamine;hydrochloride
CID 122422145

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine (CID 10387924) is (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine is COCCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
The InChIKey is DNJNIVCXNVKPGI-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26F3NO2/c1-18(20-6-4-3-5-7-20)29-17-19-8-13-24(31-15-14-30-2)23(16-19)21-9-11-22(12-10-21)25(26,27)28/h3-13,16,18,29H,14-15,17H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine has a molecular weight of 429.48 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 10387924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).