N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

C13H18N2 — CID 106899630

IUPACN-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCc1ccc(CNC2=NCCC2)cc1
InChIInChI=1S/C13H18N2/c1-2-11-5-7-12(8-6-11)10-15-13-4-3-9-14-13/h5-8H,2-4,9-10H2,1H3,(H,14,15)
InChIKeyCHWWPEYGSUXMOP-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.53
Rot. Bonds3

About N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 106899630) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID106899630
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCc1ccc(CNC2=NCCC2)cc1
InChIInChI=1S/C13H18N2/c1-2-11-5-7-12(8-6-11)10-15-13-4-3-9-14-13/h5-8H,2-4,9-10H2,1H3,(H,14,15)
InChIKeyCHWWPEYGSUXMOP-UHFFFAOYSA-N
XLogP2.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 106899630) is N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is CCc1ccc(CNC2=NCCC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is CHWWPEYGSUXMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-11-5-7-12(8-6-11)10-15-13-4-3-9-14-13/h5-8H,2-4,9-10H2,1H3,(H,14,15).
What are the key properties of N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 202.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 106899630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).