2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine

C19H22N2O — CID 15137731

IUPAC2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
SMILESCC(C)(N)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C19H22N2O/c1-19(2,20)11-15-12-21-18-9-8-16(10-17(15)18)22-13-14-6-4-3-5-7-14/h3-10,12,21H,11,13,20H2,1-2H3
InChIKeyXCFHDQGYBFPWEJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.03
Rot. Bonds5

About 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine

2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine (PubChem CID 15137731) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
PubChem CID15137731
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
SMILESCC(C)(N)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C19H22N2O/c1-19(2,20)11-15-12-21-18-9-8-16(10-17(15)18)22-13-14-6-4-3-5-7-14/h3-10,12,21H,11,13,20H2,1-2H3
InChIKeyXCFHDQGYBFPWEJ-UHFFFAOYSA-N
XLogP4.03
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 2-amino-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
CID 11502438
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile
CID 20806577
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
2-acetamido-3-ethoxy-3-oxo-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanoic acid
CID 154287399
ethyl (E)-4-(5-phenylmethoxy-1H-indol-3-yl)but-2-enoate
CID 19372353
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine (CID 15137731) is 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine is CC(C)(N)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine?
The InChIKey is XCFHDQGYBFPWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2,20)11-15-12-21-18-9-8-16(10-17(15)18)22-13-14-6-4-3-5-7-14/h3-10,12,21H,11,13,20H2,1-2H3.
What are the key properties of 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine?
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 15137731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).