5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine

C21H24N2O2 — CID 167454887

IUPAC5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine
SMILESCOCc1cc(NC2CCOCC2)c2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H24N2O2/c1-24-14-15-11-18-19(16-5-3-2-4-6-16)13-22-21(18)20(12-15)23-17-7-9-25-10-8-17/h2-6,11-13,17,22-23H,7-10,14H2,1H3
InChIKeyNNVCCSNIWUZAED-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.57
Rot. Bonds5

About 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine

5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine (PubChem CID 167454887) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine
PubChem CID167454887
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine
SMILESCOCc1cc(NC2CCOCC2)c2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H24N2O2/c1-24-14-15-11-18-19(16-5-3-2-4-6-16)13-22-21(18)20(12-15)23-17-7-9-25-10-8-17/h2-6,11-13,17,22-23H,7-10,14H2,1H3
InChIKeyNNVCCSNIWUZAED-UHFFFAOYSA-N
XLogP4.57
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde
CID 167454942
5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine
CID 167454894
5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
CID 167454960
N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387
3-bromo-5-[(1,1-dioxo-1,4-thiazin-4-yl)methyl]-N-(oxan-4-yl)-2-phenyl-1H-indol-7-amine
CID 174608682
N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine
CID 167454761
N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine
CID 102849048
N-(2-bromophenyl)oxan-4-amine;hydrochloride
CID 146049754
5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine
CID 25215212
N-(2-fluorophenyl)oxan-4-amine
CID 43608428
2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43726415
5-chloro-N-(oxan-4-yl)-1H-indol-7-amine
CID 141229128

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine?
The IUPAC name of 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine (CID 167454887) is 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine?
The canonical SMILES for 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine is COCc1cc(NC2CCOCC2)c2[nH]cc(-c3ccccc3)c2c1.
What is the InChIKey of 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine?
The InChIKey is NNVCCSNIWUZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-24-14-15-11-18-19(16-5-3-2-4-6-16)13-22-21(18)20(12-15)23-17-7-9-25-10-8-17/h2-6,11-13,17,22-23H,7-10,14H2,1H3.
What are the key properties of 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine?
5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine has a molecular weight of 336.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine is sourced from PubChem (CID 167454887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).