N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine

C30H27F3N2O — CID 22391214

IUPACN-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine
SMILESCOc1ccc(CNC(C)c2cccc3ccccc23)cc1-c1ccc2c(ccn2CC(F)(F)F)c1
InChIInChI=1S/C30H27F3N2O/c1-20(25-9-5-7-22-6-3-4-8-26(22)25)34-18-21-10-13-29(36-2)27(16-21)23-11-12-28-24(17-23)14-15-35(28)19-30(31,32)33/h3-17,20,34H,18-19H2,1-2H3
InChIKeySGNXNSIBNJJANB-UHFFFAOYSA-N
MW488.55 g/mol
LogP7.88
Rot. Bonds7

About N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine

N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 22391214) has the molecular formula C30H27F3N2O and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID22391214
Molecular FormulaC30H27F3N2O
Molecular Weight488.55 g/mol
Exact Mass488.21
IUPAC NameN-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine
SMILESCOc1ccc(CNC(C)c2cccc3ccccc23)cc1-c1ccc2c(ccn2CC(F)(F)F)c1
InChIInChI=1S/C30H27F3N2O/c1-20(25-9-5-7-22-6-3-4-8-26(22)25)34-18-21-10-13-29(36-2)27(16-21)23-11-12-28-24(17-23)14-15-35(28)19-30(31,32)33/h3-17,20,34H,18-19H2,1-2H3
InChIKeySGNXNSIBNJJANB-UHFFFAOYSA-N
XLogP7.88
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 ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine with MolForge

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Related Compounds

3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
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
4-[3-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-propoxy]-1H-indole
CID 10179651
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-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-methoxy-1h-indole
CID 9818448
[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

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine (CID 22391214) is N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine is COc1ccc(CNC(C)c2cccc3ccccc23)cc1-c1ccc2c(ccn2CC(F)(F)F)c1.
What is the InChIKey of N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is SGNXNSIBNJJANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N2O/c1-20(25-9-5-7-22-6-3-4-8-26(22)25)34-18-21-10-13-29(36-2)27(16-21)23-11-12-28-24(17-23)14-15-35(28)19-30(31,32)33/h3-17,20,34H,18-19H2,1-2H3.
What are the key properties of N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 488.55 g/mol, XLogP of 7.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 22391214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).