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

C11H13ClN2O — CID 7059302

IUPACN-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOc1ccc(Cl)cc1NC1=NCCC1
InChIInChI=1S/C11H13ClN2O/c1-15-10-5-4-8(12)7-9(10)14-11-3-2-6-13-11/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyOJLZPPLLDCAHNR-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.95
Rot. Bonds2

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

N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 7059302) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID7059302
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOc1ccc(Cl)cc1NC1=NCCC1
InChIInChI=1S/C11H13ClN2O/c1-15-10-5-4-8(12)7-9(10)14-11-3-2-6-13-11/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyOJLZPPLLDCAHNR-UHFFFAOYSA-N
XLogP2.95
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 2101081
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5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
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3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
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6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
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4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
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N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
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5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
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CID 63296598

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 7059302) is N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine is COc1ccc(Cl)cc1NC1=NCCC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is OJLZPPLLDCAHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-15-10-5-4-8(12)7-9(10)14-11-3-2-6-13-11/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 224.69 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 7059302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).