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

C19H22N2O — CID 83968706

IUPACN-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
SMILESCNCCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C19H22N2O/c1-20-11-5-8-16-13-21-19-10-9-17(12-18(16)19)22-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20-21H,5,8,11,14H2,1H3
InChIKeyPMVJHZAPACLGHG-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.90
Rot. Bonds7

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

N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine (PubChem CID 83968706) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
PubChem CID83968706
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
SMILESCNCCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C19H22N2O/c1-20-11-5-8-16-13-21-19-10-9-17(12-18(16)19)22-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20-21H,5,8,11,14H2,1H3
InChIKeyPMVJHZAPACLGHG-UHFFFAOYSA-N
XLogP3.90
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
CID 57018326
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
(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-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171
5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
CID 70697319

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine (CID 83968706) is N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine is CNCCCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine?
The InChIKey is PMVJHZAPACLGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-11-5-8-16-13-21-19-10-9-17(12-18(16)19)22-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20-21H,5,8,11,14H2,1H3.
What are the key properties of N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine?
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83968706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).