1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine

C14H19N3O — CID 79172400

IUPAC1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine
SMILESCN1CCOC(Cn2ccc3c(N)cccc32)C1
InChIInChI=1S/C14H19N3O/c1-16-7-8-18-11(9-16)10-17-6-5-12-13(15)3-2-4-14(12)17/h2-6,11H,7-10,15H2,1H3
InChIKeyMLNDSQUBFRSBDW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.55
Rot. Bonds2

About 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine

1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine (PubChem CID 79172400) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine
PubChem CID79172400
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine
SMILESCN1CCOC(Cn2ccc3c(N)cccc32)C1
InChIInChI=1S/C14H19N3O/c1-16-7-8-18-11(9-16)10-17-6-5-12-13(15)3-2-4-14(12)17/h2-6,11H,7-10,15H2,1H3
InChIKeyMLNDSQUBFRSBDW-UHFFFAOYSA-N
XLogP1.55
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine (CID 79172400) is 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine is CN1CCOC(Cn2ccc3c(N)cccc32)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine?
The InChIKey is MLNDSQUBFRSBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-7-8-18-11(9-16)10-17-6-5-12-13(15)3-2-4-14(12)17/h2-6,11H,7-10,15H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine?
1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine is sourced from PubChem (CID 79172400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).