N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

C15H20ClN3 — CID 125481816

IUPACN-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESClc1ccc2cc(CNCCN3CCCC3)[nH]c2c1
InChIInChI=1S/C15H20ClN3/c16-13-4-3-12-9-14(18-15(12)10-13)11-17-5-8-19-6-1-2-7-19/h3-4,9-10,17-18H,1-2,5-8,11H2
InChIKeyMOMNVTNWRFMBBD-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.01
Rot. Bonds5

About N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 125481816) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID125481816
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESClc1ccc2cc(CNCCN3CCCC3)[nH]c2c1
InChIInChI=1S/C15H20ClN3/c16-13-4-3-12-9-14(18-15(12)10-13)11-17-5-8-19-6-1-2-7-19/h3-4,9-10,17-18H,1-2,5-8,11H2
InChIKeyMOMNVTNWRFMBBD-UHFFFAOYSA-N
XLogP3.01
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 125481816) is N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is Clc1ccc2cc(CNCCN3CCCC3)[nH]c2c1.
What is the InChIKey of N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is MOMNVTNWRFMBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c16-13-4-3-12-9-14(18-15(12)10-13)11-17-5-8-19-6-1-2-7-19/h3-4,9-10,17-18H,1-2,5-8,11H2.
What are the key properties of N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 125481816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).