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

C11H14N2 — CID 2443140

IUPACN-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1ccc(NC2=NCCC2)cc1
InChIInChI=1S/C11H14N2/c1-9-4-6-10(7-5-9)13-11-3-2-8-12-11/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKeyUOZLVCYDFBDVPF-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.60
Rot. Bonds1

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

N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2443140) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2443140
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1ccc(NC2=NCCC2)cc1
InChIInChI=1S/C11H14N2/c1-9-4-6-10(7-5-9)13-11-3-2-8-12-11/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKeyUOZLVCYDFBDVPF-UHFFFAOYSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 2443140) is N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine is Cc1ccc(NC2=NCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is UOZLVCYDFBDVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-4-6-10(7-5-9)13-11-3-2-8-12-11/h4-7H,2-3,8H2,1H3,(H,12,13).
What are the key properties of N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 174.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2443140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).