N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine

C29H28N2 — CID 21087525

IUPACN-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1cc(-c2ccccc2)c2cc(CNC(C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C29H28N2/c1-3-31-20-28(24-10-5-4-6-11-24)27-18-22(16-17-29(27)31)19-30-21(2)25-15-9-13-23-12-7-8-14-26(23)25/h4-18,20-21,30H,3,19H2,1-2H3
InChIKeyQJQZDJFUCQNRSN-UHFFFAOYSA-N
MW404.56 g/mol
LogP7.33
Rot. Bonds6

About N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine

N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 21087525) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID21087525
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC NameN-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1cc(-c2ccccc2)c2cc(CNC(C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C29H28N2/c1-3-31-20-28(24-10-5-4-6-11-24)27-18-22(16-17-29(27)31)19-30-21(2)25-15-9-13-23-12-7-8-14-26(23)25/h4-18,20-21,30H,3,19H2,1-2H3
InChIKeyQJQZDJFUCQNRSN-UHFFFAOYSA-N
XLogP7.33
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 21087523
(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 58803173
N-[(1-ethylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087504
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 142834106
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 21087524
buta-1,3-diene;N-[[3-[(E)-3-chlorobut-2-enyl]-1-ethylindol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 142834095
(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 58803196
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 25197103
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine (CID 21087525) is N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine is CCn1cc(-c2ccccc2)c2cc(CNC(C)c3cccc4ccccc34)ccc21.
What is the InChIKey of N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is QJQZDJFUCQNRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2/c1-3-31-20-28(24-10-5-4-6-11-24)27-18-22(16-17-29(27)31)19-30-21(2)25-15-9-13-23-12-7-8-14-26(23)25/h4-18,20-21,30H,3,19H2,1-2H3.
What are the key properties of N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine?
N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 404.56 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 21087525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).