5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine

C9H15ClN2O — CID 175343025

IUPAC5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine
SMILESCC(C)OCCNc1c[nH]c(Cl)c1
InChIInChI=1S/C9H15ClN2O/c1-7(2)13-4-3-11-8-5-9(10)12-6-8/h5-7,11-12H,3-4H2,1-2H3
InChIKeyZXLZXTZTMKABCH-UHFFFAOYSA-N
MW202.69 g/mol
LogP2.51
Rot. Bonds5

About 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine

5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine (PubChem CID 175343025) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine
PubChem CID175343025
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine
SMILESCC(C)OCCNc1c[nH]c(Cl)c1
InChIInChI=1S/C9H15ClN2O/c1-7(2)13-4-3-11-8-5-9(10)12-6-8/h5-7,11-12H,3-4H2,1-2H3
InChIKeyZXLZXTZTMKABCH-UHFFFAOYSA-N
XLogP2.51
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 52.51
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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Related Compounds

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3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
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CID 63334301
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
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2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine?
The IUPAC name of 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine (CID 175343025) is 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine.
What is the SMILES notation for 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine?
The canonical SMILES for 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine is CC(C)OCCNc1c[nH]c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine?
The InChIKey is ZXLZXTZTMKABCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7(2)13-4-3-11-8-5-9(10)12-6-8/h5-7,11-12H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine?
5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine has a molecular weight of 202.69 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 175343025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).