(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride

C11H17ClN2 — CID 3072377

IUPAC(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1ccccc1
InChIInChI=1S/C11H16N2.ClH/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9,12H2;1H
InChIKeyZDQDIVBDHNEHJT-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.04
Rot. Bonds2

About (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride

(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride (PubChem CID 3072377) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride
PubChem CID3072377
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1ccccc1
InChIInChI=1S/C11H16N2.ClH/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9,12H2;1H
InChIKeyZDQDIVBDHNEHJT-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
The IUPAC name of (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride (CID 3072377) is (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride is Cl.NCC1CCCN1c1ccccc1.
What is the InChIKey of (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
The InChIKey is ZDQDIVBDHNEHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.ClH/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9,12H2;1H.
What are the key properties of (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrrolidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 3072377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).