3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride

C11H17ClN2 — CID 159811950

IUPAC3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride
SMILESC1=NCCC1.Cl.NCc1ccccc1
InChIInChI=1S/C7H9N.C4H7N.ClH/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h1-5H,6,8H2;3H,1-2,4H2;1H
InChIKeyNLDISDABROQPRI-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.42
Rot. Bonds1

About 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride

3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride (PubChem CID 159811950) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride
PubChem CID159811950
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride
SMILESC1=NCCC1.Cl.NCc1ccccc1
InChIInChI=1S/C7H9N.C4H7N.ClH/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h1-5H,6,8H2;3H,1-2,4H2;1H
InChIKeyNLDISDABROQPRI-UHFFFAOYSA-N
XLogP2.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Acetamidine, N-benzyl-2-phenyl-, hydrochloride
CID 206675
N-benzylacetimidamide hydrochloride
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1-(3-Astatobenzyl)guanidine
CID 164244
N-benzylethanimine
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2-Phenyl-2H-azirine
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N-benzylpentan-3-imine
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3-Benzylsydnonimine hydrochloride
CID 46784489
[N(E)]-N-(2,2-Difluoroethylidene)benzenemethanamine
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Benzenemethanamine, N-(2-methylpropylidene)-
CID 3505229

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride (CID 159811950) is 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride is C1=NCCC1.Cl.NCc1ccccc1.
What is the InChIKey of 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride?
The InChIKey is NLDISDABROQPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H7N.ClH/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h1-5H,6,8H2;3H,1-2,4H2;1H.
What are the key properties of 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride?
3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride is sourced from PubChem (CID 159811950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).