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

C17H25N3O — CID 107236440

IUPAC1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine
SMILESCc1c(CN2CCOC(C(C)N)C2)n(C)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-12-14-6-4-5-7-15(14)19(3)16(12)10-20-8-9-21-17(11-20)13(2)18/h4-7,13,17H,8-11,18H2,1-3H3
InChIKeyVFJQTJGGKDRARB-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.03
Rot. Bonds3

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

1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine (PubChem CID 107236440) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine
PubChem CID107236440
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine
SMILESCc1c(CN2CCOC(C(C)N)C2)n(C)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-12-14-6-4-5-7-15(14)19(3)16(12)10-20-8-9-21-17(11-20)13(2)18/h4-7,13,17H,8-11,18H2,1-3H3
InChIKeyVFJQTJGGKDRARB-UHFFFAOYSA-N
XLogP2.03
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[4-(1H-indol-3-ylmethyl)morpholin-2-yl]ethanamine
CID 115314840
1-[4-(quinolin-4-ylmethyl)morpholin-2-yl]ethanamine
CID 115314848
1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115315061
3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 81497395
1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
1-[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115314919
1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490216
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine
CID 113284985
1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine
CID 115315662

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine (CID 107236440) is 1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine is Cc1c(CN2CCOC(C(C)N)C2)n(C)c2ccccc12.
What is the InChIKey of 1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is VFJQTJGGKDRARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-14-6-4-5-7-15(14)19(3)16(12)10-20-8-9-21-17(11-20)13(2)18/h4-7,13,17H,8-11,18H2,1-3H3.
What are the key properties of 1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine?
1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 107236440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).