2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine

C16H15ClN2O — CID 117176763

IUPAC2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine
SMILESCn1c(COc2cccc(Cl)c2)cc2cc(N)ccc21
InChIInChI=1S/C16H15ClN2O/c1-19-14(8-11-7-13(18)5-6-16(11)19)10-20-15-4-2-3-12(17)9-15/h2-9H,10,18H2,1H3
InChIKeyXWLHZVCDKUUDHM-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.99
Rot. Bonds3

About 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine

2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine (PubChem CID 117176763) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine
PubChem CID117176763
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine
SMILESCn1c(COc2cccc(Cl)c2)cc2cc(N)ccc21
InChIInChI=1S/C16H15ClN2O/c1-19-14(8-11-7-13(18)5-6-16(11)19)10-20-15-4-2-3-12(17)9-15/h2-9H,10,18H2,1H3
InChIKeyXWLHZVCDKUUDHM-UHFFFAOYSA-N
XLogP3.99
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.99
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

2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
1-methyl-2-(phenoxymethyl)indol-5-amine
CID 117176691
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
2-[(2-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176716
2-[(4-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180250
1-methyl-2-(propan-2-yloxymethyl)indol-5-amine
CID 117176882
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine (CID 117176763) is 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine is Cn1c(COc2cccc(Cl)c2)cc2cc(N)ccc21.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine?
The InChIKey is XWLHZVCDKUUDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-19-14(8-11-7-13(18)5-6-16(11)19)10-20-15-4-2-3-12(17)9-15/h2-9H,10,18H2,1H3.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine?
2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine has a molecular weight of 286.76 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine is sourced from PubChem (CID 117176763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).