5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine

C23H30N2O2 — CID 167454779

IUPAC5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine
SMILESCOCCOCc1cc(NCCC(C)C)c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C23H30N2O2/c1-17(2)9-10-24-22-14-18(16-27-12-11-26-3)13-20-15-21(25-23(20)22)19-7-5-4-6-8-19/h4-8,13-15,17,24-25H,9-12,16H2,1-3H3
InChIKeyAIBMSURPBYCXRN-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.46
Rot. Bonds10

About 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine

5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine (PubChem CID 167454779) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine.

Molecular Properties

Compound Name5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine
PubChem CID167454779
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine
SMILESCOCCOCc1cc(NCCC(C)C)c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C23H30N2O2/c1-17(2)9-10-24-22-14-18(16-27-12-11-26-3)13-20-15-21(25-23(20)22)19-7-5-4-6-8-19/h4-8,13-15,17,24-25H,9-12,16H2,1-3H3
InChIKeyAIBMSURPBYCXRN-UHFFFAOYSA-N
XLogP5.46
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine
CID 167454761
methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine
CID 171818931
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
N-[2-(3-methylbutoxy)ethyl]-2-phenylaniline
CID 63488583
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
1-(3,5-dimethylhexan-2-yl)-4-(2-methoxyethoxymethyl)benzene
CID 130409372
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylbutyl)-6-phenylpyrimidine-2,4-diamine
CID 112937070
2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid
CID 115353092
3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 94821044
3-(2-methoxyethoxy)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 51099230

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine?
The IUPAC name of 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine (CID 167454779) is 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine.
What is the SMILES notation for 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine?
The canonical SMILES for 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine is COCCOCc1cc(NCCC(C)C)c2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine?
The InChIKey is AIBMSURPBYCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)9-10-24-22-14-18(16-27-12-11-26-3)13-20-15-21(25-23(20)22)19-7-5-4-6-8-19/h4-8,13-15,17,24-25H,9-12,16H2,1-3H3.
What are the key properties of 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine?
5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine has a molecular weight of 366.51 g/mol, XLogP of 5.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine is sourced from PubChem (CID 167454779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).