2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine

C22H26N2O — CID 156852005

IUPAC2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(C2CC2)c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C22H26N2O/c1-23(2)14-13-18-15-24(19-11-12-19)20-9-6-10-21(22(18)20)25-16-17-7-4-3-5-8-17/h3-10,15,19H,11-14,16H2,1-2H3
InChIKeyBKKKFWYBJWFORN-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.66
Rot. Bonds7

About 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine

2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine (PubChem CID 156852005) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
PubChem CID156852005
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(C2CC2)c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C22H26N2O/c1-23(2)14-13-18-15-24(19-11-12-19)20-9-6-10-21(22(18)20)25-16-17-7-4-3-5-8-17/h3-10,15,19H,11-14,16H2,1-2H3
InChIKeyBKKKFWYBJWFORN-UHFFFAOYSA-N
XLogP4.66
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 154159939
N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine
CID 166138190
3-(1-cyclopentylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866965
2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione
CID 53328839
2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11014184
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
CID 84571792
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 10503348
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
CID 10741107
2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
CID 141096815
N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine (CID 156852005) is 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1cn(C2CC2)c2cccc(OCc3ccccc3)c12.
What is the InChIKey of 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is BKKKFWYBJWFORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23(2)14-13-18-15-24(19-11-12-19)20-9-6-10-21(22(18)20)25-16-17-7-4-3-5-8-17/h3-10,15,19H,11-14,16H2,1-2H3.
What are the key properties of 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine?
2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 334.46 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 156852005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).