N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine

C17H25N3O — CID 107234652

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1c(CNCCN2CCOCC2)n(C)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-14-15-5-3-4-6-16(15)19(2)17(14)13-18-7-8-20-9-11-21-12-10-20/h3-6,18H,7-13H2,1-2H3
InChIKeyMEAWELKWCSPCAU-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.91
Rot. Bonds5

About N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine

N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 107234652) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID107234652
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1c(CNCCN2CCOCC2)n(C)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-14-15-5-3-4-6-16(15)19(2)17(14)13-18-7-8-20-9-11-21-12-10-20/h3-6,18H,7-13H2,1-2H3
InChIKeyMEAWELKWCSPCAU-UHFFFAOYSA-N
XLogP1.91
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234583
3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine
CID 107236210
N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 107235527
N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 107234763
3-[(1,3-dimethylindol-2-yl)methylamino]-N-propylpropanamide
CID 107235570
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932
tert-butyl N-[2-[(1,3-dimethylindol-2-yl)methylamino]ethyl]carbamate
CID 107241393
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 82705234
N-[(1,3-dimethylindol-2-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 107235935
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine (CID 107234652) is N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine is Cc1c(CNCCN2CCOCC2)n(C)c2ccccc12.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is MEAWELKWCSPCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-15-5-3-4-6-16(15)19(2)17(14)13-18-7-8-20-9-11-21-12-10-20/h3-6,18H,7-13H2,1-2H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 287.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 107234652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).