3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine

C19H22N2O — CID 117171842

IUPAC3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
SMILESCc1ccccc1OCc1cn(C(C)C)c2cccc(N)c12
InChIInChI=1S/C19H22N2O/c1-13(2)21-11-15(19-16(20)8-6-9-17(19)21)12-22-18-10-5-4-7-14(18)3/h4-11,13H,12,20H2,1-3H3
InChIKeyDWAQRKFWLGOORY-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.69
Rot. Bonds4

About 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine

3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine (PubChem CID 117171842) 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-4-amine.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
PubChem CID117171842
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
SMILESCc1ccccc1OCc1cn(C(C)C)c2cccc(N)c12
InChIInChI=1S/C19H22N2O/c1-13(2)21-11-15(19-16(20)8-6-9-17(19)21)12-22-18-10-5-4-7-14(18)3/h4-11,13H,12,20H2,1-3H3
InChIKeyDWAQRKFWLGOORY-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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Related Compounds

3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178937
3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171279
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173824
3-(ethylsulfonylmethyl)-1-propan-2-ylindol-4-amine
CID 117171814
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875
4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
CID 117172053
4-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
CID 117216713
1-ethyl-3-(phenoxymethyl)indol-4-amine
CID 117171827
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171977
N,N-dimethyl-1-(4-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 117184616

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
The IUPAC name of 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine (CID 117171842) is 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine is Cc1ccccc1OCc1cn(C(C)C)c2cccc(N)c12.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
The InChIKey is DWAQRKFWLGOORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13(2)21-11-15(19-16(20)8-6-9-17(19)21)12-22-18-10-5-4-7-14(18)3/h4-11,13H,12,20H2,1-3H3.
What are the key properties of 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
3-[(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 3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine is sourced from PubChem (CID 117171842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).