2-[(3-methylphenoxy)methyl]-1H-indol-7-amine

C16H16N2O — CID 117183647

IUPAC2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
SMILESCc1cccc(OCc2cc3cccc(N)c3[nH]2)c1
InChIInChI=1S/C16H16N2O/c1-11-4-2-6-14(8-11)19-10-13-9-12-5-3-7-15(17)16(12)18-13/h2-9,18H,10,17H2,1H3
InChIKeyJZVVLIQSKPYENV-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.64
Rot. Bonds3

About 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine

2-[(3-methylphenoxy)methyl]-1H-indol-7-amine (PubChem CID 117183647) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine.

Molecular Properties

Compound Name2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
PubChem CID117183647
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
SMILESCc1cccc(OCc2cc3cccc(N)c3[nH]2)c1
InChIInChI=1S/C16H16N2O/c1-11-4-2-6-14(8-11)19-10-13-9-12-5-3-7-15(17)16(12)18-13/h2-9,18H,10,17H2,1H3
InChIKeyJZVVLIQSKPYENV-UHFFFAOYSA-N
XLogP3.64
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine
CID 117183434
6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole
CID 117180187
7-fluoro-2-[(4-methylphenoxy)methyl]-1H-indole
CID 117183696
2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol
CID 117183677
2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine
CID 117187285
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
2-[(3-bromophenoxy)methyl]-5-methyl-1H-indole
CID 117185390
3-[(3-methylphenoxy)methyl]quinolin-2-amine
CID 62193527
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
4-[(7-bromo-1H-indol-2-yl)methoxy]phenol
CID 117183729

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine?
The IUPAC name of 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine (CID 117183647) is 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine.
What is the SMILES notation for 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine?
The canonical SMILES for 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine is Cc1cccc(OCc2cc3cccc(N)c3[nH]2)c1.
What is the InChIKey of 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine?
The InChIKey is JZVVLIQSKPYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-4-2-6-14(8-11)19-10-13-9-12-5-3-7-15(17)16(12)18-13/h2-9,18H,10,17H2,1H3.
What are the key properties of 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine?
2-[(3-methylphenoxy)methyl]-1H-indol-7-amine has a molecular weight of 252.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenoxy)methyl]-1H-indol-7-amine is sourced from PubChem (CID 117183647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).