N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine

C27H29FN2 — CID 142834106

IUPACN-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1cc(C/C=C(\C)F)c2cc(CNC(C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C27H29FN2/c1-4-30-18-23(14-12-19(2)28)26-16-21(13-15-27(26)30)17-29-20(3)24-11-7-9-22-8-5-6-10-25(22)24/h5-13,15-16,18,20,29H,4,14,17H2,1-3H3/b19-12+
InChIKeyFBMSVTKJSTYRMV-XDHOZWIPSA-N
MW400.54 g/mol
LogP7.08
Rot. Bonds7

About N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine

N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 142834106) has the molecular formula C27H29FN2 and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID142834106
Molecular FormulaC27H29FN2
Molecular Weight400.54 g/mol
Exact Mass400.23
IUPAC NameN-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1cc(C/C=C(\C)F)c2cc(CNC(C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C27H29FN2/c1-4-30-18-23(14-12-19(2)28)26-16-21(13-15-27(26)30)17-29-20(3)24-11-7-9-22-8-5-6-10-25(22)24/h5-13,15-16,18,20,29H,4,14,17H2,1-3H3/b19-12+
InChIKeyFBMSVTKJSTYRMV-XDHOZWIPSA-N
XLogP7.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine with MolForge

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Related Compounds

buta-1,3-diene;N-[[3-[(E)-3-chlorobut-2-enyl]-1-ethylindol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 142834095
N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087525
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 21087523
N-[(1-ethylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087504
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 58803173
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 25197103
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397735
3-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]prop-2-yn-1-ol
CID 59562837

Frequently Asked Questions

What is the IUPAC name of N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine (CID 142834106) is N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine is CCn1cc(C/C=C(\C)F)c2cc(CNC(C)c3cccc4ccccc34)ccc21.
What is the InChIKey of N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is FBMSVTKJSTYRMV-XDHOZWIPSA-N. The full InChI is InChI=1S/C27H29FN2/c1-4-30-18-23(14-12-19(2)28)26-16-21(13-15-27(26)30)17-29-20(3)24-11-7-9-22-8-5-6-10-25(22)24/h5-13,15-16,18,20,29H,4,14,17H2,1-3H3/b19-12+.
What are the key properties of N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine?
N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 400.54 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 142834106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).