[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine

C18H20N2O — CID 117176538

IUPAC[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine
SMILESCc1cccc(OCc2cc3cc(CN)ccc3n2C)c1
InChIInChI=1S/C18H20N2O/c1-13-4-3-5-17(8-13)21-12-16-10-15-9-14(11-19)6-7-18(15)20(16)2/h3-10H,11-12,19H2,1-2H3
InChIKeyJWLFPVAASGHMGO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.52
Rot. Bonds4

About [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine

[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine (PubChem CID 117176538) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine
PubChem CID117176538
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine
SMILESCc1cccc(OCc2cc3cc(CN)ccc3n2C)c1
InChIInChI=1S/C18H20N2O/c1-13-4-3-5-17(8-13)21-12-16-10-15-9-14(11-19)6-7-18(15)20(16)2/h3-10H,11-12,19H2,1-2H3
InChIKeyJWLFPVAASGHMGO-UHFFFAOYSA-N
XLogP3.52
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
CID 117185409
2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176763
1-methyl-2-(phenoxymethyl)indol-5-amine
CID 117176691
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248
[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
CID 117176571
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
CID 82289274
4-[(3-methylphenoxy)methyl]aniline
CID 16789694

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine?
The IUPAC name of [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine (CID 117176538) is [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine.
What is the SMILES notation for [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine?
The canonical SMILES for [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine is Cc1cccc(OCc2cc3cc(CN)ccc3n2C)c1.
What is the InChIKey of [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine?
The InChIKey is JWLFPVAASGHMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-4-3-5-17(8-13)21-12-16-10-15-9-14(11-19)6-7-18(15)20(16)2/h3-10H,11-12,19H2,1-2H3.
What are the key properties of [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine?
[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine has a molecular weight of 280.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine is sourced from PubChem (CID 117176538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).