2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine

C25H34N2O — CID 68945865

IUPAC2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine
SMILESCC(C)c1cn2ccccc2c1Cc1ccc(OCCCNC(C)(C)C)cc1
InChIInChI=1S/C25H34N2O/c1-19(2)23-18-27-15-7-6-9-24(27)22(23)17-20-10-12-21(13-11-20)28-16-8-14-26-25(3,4)5/h6-7,9-13,15,18-19,26H,8,14,16-17H2,1-5H3
InChIKeyGQIJKXDDUYYCKO-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.81
Rot. Bonds8

About 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine

2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine (PubChem CID 68945865) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine
PubChem CID68945865
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine
SMILESCC(C)c1cn2ccccc2c1Cc1ccc(OCCCNC(C)(C)C)cc1
InChIInChI=1S/C25H34N2O/c1-19(2)23-18-27-15-7-6-9-24(27)22(23)17-20-10-12-21(13-11-20)28-16-8-14-26-25(3,4)5/h6-7,9-13,15,18-19,26H,8,14,16-17H2,1-5H3
InChIKeyGQIJKXDDUYYCKO-UHFFFAOYSA-N
XLogP5.81
TPSA25.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine
CID 10049017
3,4,5-trimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline
CID 24896271
3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
CID 142696829
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633
N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
CID 63498749
2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
CID 56995593
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62448293
N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
CID 63497163
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine (CID 68945865) is 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine is CC(C)c1cn2ccccc2c1Cc1ccc(OCCCNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine?
The InChIKey is GQIJKXDDUYYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-19(2)23-18-27-15-7-6-9-24(27)22(23)17-20-10-12-21(13-11-20)28-16-8-14-26-25(3,4)5/h6-7,9-13,15,18-19,26H,8,14,16-17H2,1-5H3.
What are the key properties of 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine?
2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine has a molecular weight of 378.56 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine is sourced from PubChem (CID 68945865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).