3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine

C19H22N2O — CID 117178937

IUPAC3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
SMILESCc1ccccc1OCc1cn(C(C)C)c2cc(N)ccc12
InChIInChI=1S/C19H22N2O/c1-13(2)21-11-15(17-9-8-16(20)10-18(17)21)12-22-19-7-5-4-6-14(19)3/h4-11,13H,12,20H2,1-3H3
InChIKeyZNJXVKSWRDOONF-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.69
Rot. Bonds4

About 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine

3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine (PubChem CID 117178937) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
PubChem CID117178937
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
SMILESCc1ccccc1OCc1cn(C(C)C)c2cc(N)ccc12
InChIInChI=1S/C19H22N2O/c1-13(2)21-11-15(17-9-8-16(20)10-18(17)21)12-22-19-7-5-4-6-14(19)3/h4-11,13H,12,20H2,1-3H3
InChIKeyZNJXVKSWRDOONF-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine?
The IUPAC name of 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine (CID 117178937) is 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine is Cc1ccccc1OCc1cn(C(C)C)c2cc(N)ccc12.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine?
The InChIKey is ZNJXVKSWRDOONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13(2)21-11-15(17-9-8-16(20)10-18(17)21)12-22-19-7-5-4-6-14(19)3/h4-11,13H,12,20H2,1-3H3.
What are the key properties of 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine?
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-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 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine is sourced from PubChem (CID 117178937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).