N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine

C23H28N2O — CID 19800141

IUPACN-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine
SMILESC=C(c1ccccc1OCCCNC(C)(C)C)c1cccc2[nH]ccc12
InChIInChI=1S/C23H28N2O/c1-17(18-10-7-11-21-20(18)13-15-24-21)19-9-5-6-12-22(19)26-16-8-14-25-23(2,3)4/h5-7,9-13,15,24-25H,1,8,14,16H2,2-4H3
InChIKeyOGEFZKLFUFWQJE-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.39
Rot. Bonds7

About N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine

N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine (PubChem CID 19800141) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine
PubChem CID19800141
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine
SMILESC=C(c1ccccc1OCCCNC(C)(C)C)c1cccc2[nH]ccc12
InChIInChI=1S/C23H28N2O/c1-17(18-10-7-11-21-20(18)13-15-24-21)19-9-5-6-12-22(19)26-16-8-14-25-23(2,3)4/h5-7,9-13,15,24-25H,1,8,14,16H2,2-4H3
InChIKeyOGEFZKLFUFWQJE-UHFFFAOYSA-N
XLogP5.39
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide;hydrochloride
CID 3086997
2-[3-(tert-butylamino)propoxy]benzamide
CID 103074303
[2-(3-chloropropoxy)phenyl]-(1H-indol-4-yl)methanone
CID 14880470
N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine
CID 58251909
2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164
N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
CID 2248871
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
CID 3066297
(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
CID 3077196
3-(1H-indol-4-yl)-1-[2-[2-(2-methylpropylamino)ethoxy]phenyl]prop-2-en-1-one
CID 57320055
1-[4-[2-(tert-butylamino)ethoxy]phenyl]-3-(1H-indol-4-yl)prop-2-en-1-one
CID 54238378
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
[1-(tert-butylamino)-3-[2-(1H-indol-4-ylcarbamoyl)phenoxy]propan-2-yl] benzoate
CID 54493684

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine (CID 19800141) is N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine is C=C(c1ccccc1OCCCNC(C)(C)C)c1cccc2[nH]ccc12.
What is the InChIKey of N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is OGEFZKLFUFWQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17(18-10-7-11-21-20(18)13-15-24-21)19-9-5-6-12-22(19)26-16-8-14-25-23(2,3)4/h5-7,9-13,15,24-25H,1,8,14,16H2,2-4H3.
What are the key properties of N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine?
N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 348.49 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 19800141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).