[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine

C17H17ClN2O — CID 117179967

IUPAC[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine
SMILESCn1c(COc2ccccc2Cl)cc2ccc(CN)cc21
InChIInChI=1S/C17H17ClN2O/c1-20-14(11-21-17-5-3-2-4-15(17)18)9-13-7-6-12(10-19)8-16(13)20/h2-9H,10-11,19H2,1H3
InChIKeyCWSXMXDIQNIZLN-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.87
Rot. Bonds4

About [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine

[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine (PubChem CID 117179967) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine
PubChem CID117179967
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine
SMILESCn1c(COc2ccccc2Cl)cc2ccc(CN)cc21
InChIInChI=1S/C17H17ClN2O/c1-20-14(11-21-17-5-3-2-4-15(17)18)9-13-7-6-12(10-19)8-16(13)20/h2-9H,10-11,19H2,1H3
InChIKeyCWSXMXDIQNIZLN-UHFFFAOYSA-N
XLogP3.87
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117180404
2-[(2-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176716
[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine
CID 117179218
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
CID 117180480
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551
[5-[(2-chlorophenoxy)methyl]-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481637
4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole
CID 117173268
[2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine
CID 82357475
[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine
CID 117176538
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
CID 117180500

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine?
The IUPAC name of [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine (CID 117179967) is [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine.
What is the SMILES notation for [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine?
The canonical SMILES for [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine is Cn1c(COc2ccccc2Cl)cc2ccc(CN)cc21.
What is the InChIKey of [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine?
The InChIKey is CWSXMXDIQNIZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-20-14(11-21-17-5-3-2-4-15(17)18)9-13-7-6-12(10-19)8-16(13)20/h2-9H,10-11,19H2,1H3.
What are the key properties of [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine?
[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine has a molecular weight of 300.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine is sourced from PubChem (CID 117179967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).