N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine

C16H15ClN2O — CID 2101081

IUPACN-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1ccc(Oc2ccccc2)c(NC2=NCCC2)c1
InChIInChI=1S/C16H15ClN2O/c17-12-8-9-15(20-13-5-2-1-3-6-13)14(11-12)19-16-7-4-10-18-16/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19)
InChIKeyRGIGMQXEXCQFTA-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.74
Rot. Bonds3

About N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2101081) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2101081
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESClc1ccc(Oc2ccccc2)c(NC2=NCCC2)c1
InChIInChI=1S/C16H15ClN2O/c17-12-8-9-15(20-13-5-2-1-3-6-13)14(11-12)19-16-7-4-10-18-16/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19)
InChIKeyRGIGMQXEXCQFTA-UHFFFAOYSA-N
XLogP4.74
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 7059302
N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508246
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
5-amino-2-(5-chloro-2-phenoxyanilino)benzamide
CID 100654576
N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 28695635
1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459455
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
CID 45464935
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
CID 100513507
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 2101081) is N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine is Clc1ccc(Oc2ccccc2)c(NC2=NCCC2)c1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is RGIGMQXEXCQFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-12-8-9-15(20-13-5-2-1-3-6-13)14(11-12)19-16-7-4-10-18-16/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 286.76 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2101081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).