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

C24H30N2O2 — CID 167454761

IUPACN-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine
SMILESCOCCOCc1cc(NC2CCCCC2)c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C24H30N2O2/c1-27-12-13-28-17-18-14-20-16-22(19-8-4-2-5-9-19)26-24(20)23(15-18)25-21-10-6-3-7-11-21/h2,4-5,8-9,14-16,21,25-26H,3,6-7,10-13,17H2,1H3
InChIKeyBYVOYJPBMMZDKU-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.74
Rot. Bonds8

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

N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine (PubChem CID 167454761) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine
PubChem CID167454761
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine
SMILESCOCCOCc1cc(NC2CCCCC2)c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C24H30N2O2/c1-27-12-13-28-17-18-14-20-16-22(19-8-4-2-5-9-19)26-24(20)23(15-18)25-21-10-6-3-7-11-21/h2,4-5,8-9,14-16,21,25-26H,3,6-7,10-13,17H2,1H3
InChIKeyBYVOYJPBMMZDKU-UHFFFAOYSA-N
XLogP5.74
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.74
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

5-(2-methoxyethoxymethyl)-N-(3-methylbutyl)-2-phenyl-1H-indol-7-amine
CID 167454779
5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
CID 167454960
5-chloro-N-cyclopentyl-2-phenyl-1H-indol-7-amine
CID 25214710
N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine
CID 167454832
2-[(4S)-2-[7-(cyclopentylamino)-2-phenyl-1H-indol-5-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 68635118
[(4R)-2-[5-(anilinomethyl)-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]methyl acetate
CID 174722333
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
N-[3-(2-methoxyethoxymethyl)phenyl]azepan-4-amine
CID 103981615
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-phenyl-1H-indol-7-amine;5-chloro-N-(1-methylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
CID 68761398
2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 68795923
N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752
5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde
CID 167454942

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine?
The IUPAC name of N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine (CID 167454761) is N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine.
What is the SMILES notation for N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine?
The canonical SMILES for N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine is COCCOCc1cc(NC2CCCCC2)c2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine?
The InChIKey is BYVOYJPBMMZDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-27-12-13-28-17-18-14-20-16-22(19-8-4-2-5-9-19)26-24(20)23(15-18)25-21-10-6-3-7-11-21/h2,4-5,8-9,14-16,21,25-26H,3,6-7,10-13,17H2,1H3.
What are the key properties of N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine?
N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine has a molecular weight of 378.52 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine is sourced from PubChem (CID 167454761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).