N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine

C14H15N3 — CID 164562122

IUPACN-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
SMILESc1c[nH]c(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C14H15N3/c1-2-5-13-12(4-1)11(10-17-13)7-9-16-14-6-3-8-15-14/h1-6,8,10,15-17H,7,9H2
InChIKeyPYZUIPWUWITFIJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine

N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine (PubChem CID 164562122) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
PubChem CID164562122
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
SMILESc1c[nH]c(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C14H15N3/c1-2-5-13-12(4-1)11(10-17-13)7-9-16-14-6-3-8-15-14/h1-6,8,10,15-17H,7,9H2
InChIKeyPYZUIPWUWITFIJ-UHFFFAOYSA-N
XLogP3.15
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine
CID 118478788
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine
CID 54260739
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine (CID 164562122) is N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine is c1c[nH]c(NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine?
The InChIKey is PYZUIPWUWITFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-5-13-12(4-1)11(10-17-13)7-9-16-14-6-3-8-15-14/h1-6,8,10,15-17H,7,9H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine?
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine has a molecular weight of 225.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine is sourced from PubChem (CID 164562122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).