(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine

C26H25F3N2O — CID 58803196

IUPAC(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
SMILESCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN[C@H](C)c3ccccc3)ccc21
InChIInChI=1S/C26H25F3N2O/c1-3-31-17-24(21-10-12-22(13-11-21)32-26(27,28)29)23-15-19(9-14-25(23)31)16-30-18(2)20-7-5-4-6-8-20/h4-15,17-18,30H,3,16H2,1-2H3/t18-/m1/s1
InChIKeyYZHJJJQHBYBNFQ-GOSISDBHSA-N
MW438.49 g/mol
LogP7.08
Rot. Bonds7

About (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine

(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine (PubChem CID 58803196) has the molecular formula C26H25F3N2O and a molecular weight of 438.49 g/mol. Its IUPAC name is (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
PubChem CID58803196
Molecular FormulaC26H25F3N2O
Molecular Weight438.49 g/mol
Exact Mass438.19
IUPAC Name(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
SMILESCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN[C@H](C)c3ccccc3)ccc21
InChIInChI=1S/C26H25F3N2O/c1-3-31-17-24(21-10-12-22(13-11-21)32-26(27,28)29)23-15-19(9-14-25(23)31)16-30-18(2)20-7-5-4-6-8-20/h4-15,17-18,30H,3,16H2,1-2H3/t18-/m1/s1
InChIKeyYZHJJJQHBYBNFQ-GOSISDBHSA-N
XLogP7.08
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 21087524
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 21087523
(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
CID 25214114
(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 58803173
N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine
CID 144798629
N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 22391172
1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193489
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-methylbutan-1-amine;propan-1-amine
CID 145323415
N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide
CID 55463875
1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193502

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine (CID 58803196) is (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine is CCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN[C@H](C)c3ccccc3)ccc21.
What is the InChIKey of (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
The InChIKey is YZHJJJQHBYBNFQ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H25F3N2O/c1-3-31-17-24(21-10-12-22(13-11-21)32-26(27,28)29)23-15-19(9-14-25(23)31)16-30-18(2)20-7-5-4-6-8-20/h4-15,17-18,30H,3,16H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine has a molecular weight of 438.49 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 58803196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).