1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine

C15H21N3O — CID 116941500

IUPAC1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine
SMILESCc1[nH]c2ccccc2c1C(N)CC1COCCN1
InChIInChI=1S/C15H21N3O/c1-10-15(12-4-2-3-5-14(12)18-10)13(16)8-11-9-19-7-6-17-11/h2-5,11,13,17-18H,6-9,16H2,1H3
InChIKeyGHKCSTKVCYSBBS-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.85
Rot. Bonds3

About 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine

1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine (PubChem CID 116941500) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine
PubChem CID116941500
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine
SMILESCc1[nH]c2ccccc2c1C(N)CC1COCCN1
InChIInChI=1S/C15H21N3O/c1-10-15(12-4-2-3-5-14(12)18-10)13(16)8-11-9-19-7-6-17-11/h2-5,11,13,17-18H,6-9,16H2,1H3
InChIKeyGHKCSTKVCYSBBS-UHFFFAOYSA-N
XLogP1.85
TPSA63.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyl-1H-indol-3-yl)methyl]-1-morpholin-3-ylmethanamine
CID 115238025
1-(3-methylphenyl)-2-morpholin-3-ylethanamine
CID 116941527
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
2-morpholin-3-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116941456
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
2-morpholin-3-yl-1-naphthalen-2-ylethanamine
CID 116941547
1-(4-methoxy-2,3-dimethylphenyl)-2-morpholin-3-ylethanamine
CID 116941505
1-(4-ethylphenyl)-2-morpholin-3-ylethanamine
CID 116941455
1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-3-ylethanamine
CID 116941537
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
CID 171206860
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine (CID 116941500) is 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine is Cc1[nH]c2ccccc2c1C(N)CC1COCCN1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine?
The InChIKey is GHKCSTKVCYSBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-15(12-4-2-3-5-14(12)18-10)13(16)8-11-9-19-7-6-17-11/h2-5,11,13,17-18H,6-9,16H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine?
1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine has a molecular weight of 259.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine is sourced from PubChem (CID 116941500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).