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

C30H27F3N2O — CID 58803181

IUPAC(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN[C@H](C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C30H27F3N2O/c1-3-35-19-28(23-12-14-24(15-13-23)36-30(31,32)33)27-17-21(11-16-29(27)35)18-34-20(2)25-10-6-8-22-7-4-5-9-26(22)25/h4-17,19-20,34H,3,18H2,1-2H3/t20-/m1/s1
InChIKeyUAYJUEGZICIJMT-HXUWFJFHSA-N
MW488.55 g/mol
LogP8.23
Rot. Bonds7

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

(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 58803181) has the molecular formula C30H27F3N2O and a molecular weight of 488.55 g/mol. Its IUPAC name is (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID58803181
Molecular FormulaC30H27F3N2O
Molecular Weight488.55 g/mol
Exact Mass488.21
IUPAC Name(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN[C@H](C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C30H27F3N2O/c1-3-35-19-28(23-12-14-24(15-13-23)36-30(31,32)33)27-17-21(11-16-29(27)35)18-34-20(2)25-10-6-8-22-7-4-5-9-26(22)25/h4-17,19-20,34H,3,18H2,1-2H3/t20-/m1/s1
InChIKeyUAYJUEGZICIJMT-HXUWFJFHSA-N
XLogP8.23
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile
CID 9864943
3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile
CID 10178164
3-[4-(5-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile
CID 10200109
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-1H-indole
CID 44396409
6-methoxy-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 127153
[3-(5-Fluoro-1H-indol-3-yl)-propyl]-[2-(5,6,7,8-tetrahydro-naphthalen-1-yloxy)-ethyl]-amine
CID 9820536
2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-5-methoxy-1,2,3,4-tetrahydro-isoquinoline
CID 9840814
2-(3-(5-fluoro-1H-indol-3-yl)-propyl)-6-methoxy-1,2,3,4-tetrahydro-isoquinoline
CID 9880984
3-[4-(8-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile
CID 9930031
6-Methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-1H-indole
CID 10475895

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine (CID 58803181) is (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine is CCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN[C@H](C)c3cccc4ccccc34)ccc21.
What is the InChIKey of (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is UAYJUEGZICIJMT-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H27F3N2O/c1-3-35-19-28(23-12-14-24(15-13-23)36-30(31,32)33)27-17-21(11-16-29(27)35)18-34-20(2)25-10-6-8-22-7-4-5-9-26(22)25/h4-17,19-20,34H,3,18H2,1-2H3/t20-/m1/s1.
What are the key properties of (1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 488.55 g/mol, XLogP of 8.23, 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-naphthalen-1-ylethanamine is sourced from PubChem (CID 58803181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).