2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine

C14H17ClN2 — CID 95459676

IUPAC2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1CCc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2/c15-13-4-1-3-12(11-13)7-10-17-9-2-5-14(17)6-8-16/h1-5,9,11H,6-8,10,16H2
InChIKeyRNGWLRROCJJCJT-UHFFFAOYSA-N
MW248.76 g/mol
LogP2.89
Rot. Bonds5

About 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine

2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine (PubChem CID 95459676) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine
PubChem CID95459676
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1CCc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2/c15-13-4-1-3-12(11-13)7-10-17-9-2-5-14(17)6-8-16/h1-5,9,11H,6-8,10,16H2
InChIKeyRNGWLRROCJJCJT-UHFFFAOYSA-N
XLogP2.89
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
CID 82286447
[1-(2-phenylethyl)pyrrol-2-yl]methanamine
CID 66408175
2-[2-(3-chlorophenyl)ethoxy]ethanamine
CID 94766900
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406454
2-[1-[(4-iodophenyl)methyl]pyrrol-2-yl]ethanamine
CID 66404442
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate
CID 86865806
2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
CID 83823084
2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
CID 84670674
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine (CID 95459676) is 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine is NCCc1cccn1CCc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine?
The InChIKey is RNGWLRROCJJCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-13-4-1-3-12(11-13)7-10-17-9-2-5-14(17)6-8-16/h1-5,9,11H,6-8,10,16H2.
What are the key properties of 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine?
2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine has a molecular weight of 248.76 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 95459676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).