1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine

C15H17N3 — CID 82388266

IUPAC1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine
SMILESCn1ccc(CC(N)c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C15H17N3/c1-18-7-5-11(10-18)8-14(16)12-2-3-15-13(9-12)4-6-17-15/h2-7,9-10,14,17H,8,16H2,1H3
InChIKeyWHKKHZMJBDULSR-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.75
Rot. Bonds3

About 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine

1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine (PubChem CID 82388266) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine
PubChem CID82388266
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine
SMILESCn1ccc(CC(N)c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C15H17N3/c1-18-7-5-11(10-18)8-14(16)12-2-3-15-13(9-12)4-6-17-15/h2-7,9-10,14,17H,8,16H2,1H3
InChIKeyWHKKHZMJBDULSR-UHFFFAOYSA-N
XLogP2.75
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-5-yl)-2-methoxyethanamine
CID 55270804
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545
5-propan-2-yl-1H-indole
CID 10558918
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
5-(1-chloroethyl)-1H-indole
CID 174700849
(2R)-2-amino-2-(1H-indol-5-yl)acetonitrile
CID 131106135
4-methyl-1-(1-methylpyrrol-3-yl)pentan-2-amine
CID 66400386
methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
CID 131526259
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)
CID 15140319
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine?
The IUPAC name of 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine (CID 82388266) is 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine.
What is the SMILES notation for 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine?
The canonical SMILES for 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine is Cn1ccc(CC(N)c2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine?
The InChIKey is WHKKHZMJBDULSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-18-7-5-11(10-18)8-14(16)12-2-3-15-13(9-12)4-6-17-15/h2-7,9-10,14,17H,8,16H2,1H3.
What are the key properties of 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine?
1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-2-(1-methylpyrrol-3-yl)ethanamine is sourced from PubChem (CID 82388266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).