2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine

C19H22N2O — CID 117173824

IUPAC2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
SMILESCc1ccccc1OCc1cc2c(N)cccc2n1C(C)C
InChIInChI=1S/C19H22N2O/c1-13(2)21-15(11-16-17(20)8-6-9-18(16)21)12-22-19-10-5-4-7-14(19)3/h4-11,13H,12,20H2,1-3H3
InChIKeyVEFFUALFHWBOJT-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.69
Rot. Bonds4

About 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine

2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine (PubChem CID 117173824) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
PubChem CID117173824
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
SMILESCc1ccccc1OCc1cc2c(N)cccc2n1C(C)C
InChIInChI=1S/C19H22N2O/c1-13(2)21-15(11-16-17(20)8-6-9-18(16)21)12-22-19-10-5-4-7-14(19)3/h4-11,13H,12,20H2,1-3H3
InChIKeyVEFFUALFHWBOJT-UHFFFAOYSA-N
XLogP4.69
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-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

2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173920
4-[(4-amino-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117173954
6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117180665
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117171842
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
CID 117173772
1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine
CID 117217148
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178937
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
CID 117173654
3-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
CID 117216038

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
The IUPAC name of 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine (CID 117173824) is 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine is Cc1ccccc1OCc1cc2c(N)cccc2n1C(C)C.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
The InChIKey is VEFFUALFHWBOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13(2)21-15(11-16-17(20)8-6-9-18(16)21)12-22-19-10-5-4-7-14(19)3/h4-11,13H,12,20H2,1-3H3.
What are the key properties of 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine has a molecular weight of 294.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine is sourced from PubChem (CID 117173824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).