N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine

C14H19ClN2O — CID 84640296

IUPACN-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine
SMILESCOc1cc2c(C)c(CNC(C)C)[nH]c2cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-8(2)16-7-13-9(3)10-5-14(18-4)11(15)6-12(10)17-13/h5-6,8,16-17H,7H2,1-4H3
InChIKeyWHVDKKIITDHVNH-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.64
Rot. Bonds4

About N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine

N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine (PubChem CID 84640296) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine
PubChem CID84640296
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine
SMILESCOc1cc2c(C)c(CNC(C)C)[nH]c2cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-8(2)16-7-13-9(3)10-5-14(18-4)11(15)6-12(10)17-13/h5-6,8,16-17H,7H2,1-4H3
InChIKeyWHVDKKIITDHVNH-UHFFFAOYSA-N
XLogP3.64
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
CID 84629248
N-[(6-bromo-3-methyl-1H-indol-2-yl)methyl]propan-2-amine
CID 84642876
N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine
CID 70849705
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
3-(5-chloro-4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 98784567
N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine
CID 84644665
2-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82496487
N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine
CID 84640295
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
3-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid
CID 82501837
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
3-(2-aminoethyl)-6-chloro-5-methoxy-1H-indole-2-carboxylic acid
CID 84743045

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine (CID 84640296) is N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine is COc1cc2c(C)c(CNC(C)C)[nH]c2cc1Cl.
What is the InChIKey of N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine?
The InChIKey is WHVDKKIITDHVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-8(2)16-7-13-9(3)10-5-14(18-4)11(15)6-12(10)17-13/h5-6,8,16-17H,7H2,1-4H3.
What are the key properties of N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine?
N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine has a molecular weight of 266.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 84640296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).