N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride

C13H21ClN2 — CID 3072373

IUPACN,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCN(C)CC1CCCN1c1ccccc1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-14(2)11-13-9-6-10-15(13)12-7-4-3-5-8-12;/h3-5,7-8,13H,6,9-11H2,1-2H3;1H
InChIKeyONLXMVLRKIUZET-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.64
Rot. Bonds3

About N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride

N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride (PubChem CID 3072373) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride
PubChem CID3072373
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCN(C)CC1CCCN1c1ccccc1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-14(2)11-13-9-6-10-15(13)12-7-4-3-5-8-12;/h3-5,7-8,13H,6,9-11H2,1-2H3;1H
InChIKeyONLXMVLRKIUZET-UHFFFAOYSA-N
XLogP2.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride (CID 3072373) is N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride is CN(C)CC1CCCN1c1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
The InChIKey is ONLXMVLRKIUZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.ClH/c1-14(2)11-13-9-6-10-15(13)12-7-4-3-5-8-12;/h3-5,7-8,13H,6,9-11H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 3072373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).