N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

C12H17ClN2 — CID 6603563

IUPACN-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCC(NC1=NCCC1)c1ccccc1.Cl
InChIInChI=1S/C12H16N2.ClH/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12;/h2-4,6-7,10H,5,8-9H2,1H3,(H,13,14);1H
InChIKeyHZANNJPHUWWYJH-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.95
Rot. Bonds2

About N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 6603563) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID6603563
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC NameN-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCC(NC1=NCCC1)c1ccccc1.Cl
InChIInChI=1S/C12H16N2.ClH/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12;/h2-4,6-7,10H,5,8-9H2,1H3,(H,13,14);1H
InChIKeyHZANNJPHUWWYJH-UHFFFAOYSA-N
XLogP2.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 6603563) is N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CC(NC1=NCCC1)c1ccccc1.Cl.
What is the InChIKey of N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is HZANNJPHUWWYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12;/h2-4,6-7,10H,5,8-9H2,1H3,(H,13,14);1H.
What are the key properties of N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 224.74 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 6603563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).