1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine

C25H32N2O3 — CID 19919967

IUPAC1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCCOc1ccccc1OCC1CCCO1
InChIInChI=1S/C25H32N2O3/c1-25(2,16-19-17-26-22-10-4-3-9-21(19)22)27-13-15-29-23-11-5-6-12-24(23)30-18-20-8-7-14-28-20/h3-6,9-12,17,20,26-27H,7-8,13-16,18H2,1-2H3
InChIKeyZFWZDYWKDXJZLH-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.72
Rot. Bonds10

About 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine

1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine (PubChem CID 19919967) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine
PubChem CID19919967
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCCOc1ccccc1OCC1CCCO1
InChIInChI=1S/C25H32N2O3/c1-25(2,16-19-17-26-22-10-4-3-9-21(19)22)27-13-15-29-23-11-5-6-12-24(23)30-18-20-8-7-14-28-20/h3-6,9-12,17,20,26-27H,7-8,13-16,18H2,1-2H3
InChIKeyZFWZDYWKDXJZLH-UHFFFAOYSA-N
XLogP4.72
TPSA55.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine with MolForge

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Related Compounds

N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(1H-indol-3-yl)-2-methylpropan-2-amine;hydrochloride
CID 19919936
N'-[2-(1H-indol-3-yl)acetyl]-2-(oxolan-2-ylmethoxy)benzohydrazide
CID 43047999
N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide
CID 30689433
3-[2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethoxy]-4-(2-methylpropoxy)phenol;hydrochloride
CID 19919968
N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine
CID 15289628
2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 110997142
N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 102603532
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
CID 70500153
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8653138
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 54805225

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine?
The IUPAC name of 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine (CID 19919967) is 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine?
The canonical SMILES for 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine is CC(C)(Cc1c[nH]c2ccccc12)NCCOc1ccccc1OCC1CCCO1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine?
The InChIKey is ZFWZDYWKDXJZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-25(2,16-19-17-26-22-10-4-3-9-21(19)22)27-13-15-29-23-11-5-6-12-24(23)30-18-20-8-7-14-28-20/h3-6,9-12,17,20,26-27H,7-8,13-16,18H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine?
1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine has a molecular weight of 408.54 g/mol, XLogP of 4.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine is sourced from PubChem (CID 19919967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).