N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine

C21H26N2O — CID 156852024

IUPACN-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCC(C)N(C)CCc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C21H26N2O/c1-16(2)23(3)13-12-18-14-22-19-10-7-11-20(21(18)19)24-15-17-8-5-4-6-9-17/h4-11,14,16,22H,12-13,15H2,1-3H3
InChIKeyAYXBYOIUOJAWDD-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.63
Rot. Bonds7

About N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine

N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine (PubChem CID 156852024) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
PubChem CID156852024
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCC(C)N(C)CCc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C21H26N2O/c1-16(2)23(3)13-12-18-14-22-19-10-7-11-20(21(18)19)24-15-17-8-5-4-6-9-17/h4-11,14,16,22H,12-13,15H2,1-3H3
InChIKeyAYXBYOIUOJAWDD-UHFFFAOYSA-N
XLogP4.63
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine
CID 178015048
2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11014184
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
5-[[3-[2-(diethylamino)ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid;5-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid;5-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid;5-[[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid
CID 164968602
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 11684972
4-phenylmethoxy-1H-indole-3-carbonitrile
CID 12798006
(E)-4-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-4-oxobut-2-enoic acid
CID 162510635

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine (CID 156852024) is N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine is CC(C)N(C)CCc1c[nH]c2cccc(OCc3ccccc3)c12.
What is the InChIKey of N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine?
The InChIKey is AYXBYOIUOJAWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(2)23(3)13-12-18-14-22-19-10-7-11-20(21(18)19)24-15-17-8-5-4-6-9-17/h4-11,14,16,22H,12-13,15H2,1-3H3.
What are the key properties of N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine?
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine has a molecular weight of 322.45 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 156852024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).