2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

C15H17N3 — CID 66407834

IUPAC2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCc3cc[nH]c3)c[nH]c2c1
InChIInChI=1S/C15H17N3/c1-2-4-15-14(3-1)13(11-18-15)6-8-17-10-12-5-7-16-9-12/h1-5,7,9,11,16-18H,6,8,10H2
InChIKeyKMMXZLFSFLSURJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.83
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 66407834) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID66407834
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCc3cc[nH]c3)c[nH]c2c1
InChIInChI=1S/C15H17N3/c1-2-4-15-14(3-1)13(11-18-15)6-8-17-10-12-5-7-16-9-12/h1-5,7,9,11,16-18H,6,8,10H2
InChIKeyKMMXZLFSFLSURJ-UHFFFAOYSA-N
XLogP2.83
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine;hydrobromide
CID 75531299
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
(E)-3-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enal
CID 89259735
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384838
3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide
CID 141103412
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 66407834) is 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is c1ccc2c(CCNCc3cc[nH]c3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is KMMXZLFSFLSURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-4-15-14(3-1)13(11-18-15)6-8-17-10-12-5-7-16-9-12/h1-5,7,9,11,16-18H,6,8,10H2.
What are the key properties of 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 66407834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).