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

C17H18N2O — CID 117183434

IUPAC[2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine
SMILESCc1cccc(OCc2cc3cccc(CN)c3[nH]2)c1
InChIInChI=1S/C17H18N2O/c1-12-4-2-7-16(8-12)20-11-15-9-13-5-3-6-14(10-18)17(13)19-15/h2-9,19H,10-11,18H2,1H3
InChIKeySLYMZYIYCNHOFZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.51
Rot. Bonds4

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

[2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine (PubChem CID 117183434) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine
PubChem CID117183434
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine
SMILESCc1cccc(OCc2cc3cccc(CN)c3[nH]2)c1
InChIInChI=1S/C17H18N2O/c1-12-4-2-7-16(8-12)20-11-15-9-13-5-3-6-14(10-18)17(13)19-15/h2-9,19H,10-11,18H2,1H3
InChIKeySLYMZYIYCNHOFZ-UHFFFAOYSA-N
XLogP3.51
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
CID 117183647
[7-(aminomethyl)-1H-indol-2-yl]methanol
CID 117183472
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
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
2-[(3-bromophenoxy)methyl]-5-methyl-1H-indole
CID 117185390
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
CID 82289274
3-[(3-methylphenoxy)methyl]quinolin-2-amine
CID 62193527

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine?
The IUPAC name of [2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine (CID 117183434) is [2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine.
What is the SMILES notation for [2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine?
The canonical SMILES for [2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine is Cc1cccc(OCc2cc3cccc(CN)c3[nH]2)c1.
What is the InChIKey of [2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine?
The InChIKey is SLYMZYIYCNHOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-4-2-7-16(8-12)20-11-15-9-13-5-3-6-14(10-18)17(13)19-15/h2-9,19H,10-11,18H2,1H3.
What are the key properties of [2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine?
[2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 3.51, 4 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-yl]methanamine is sourced from PubChem (CID 117183434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).