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

C12H19ClN2 — CID 3072375

IUPACN-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCNCC1CCCN1c1ccccc1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-13-10-12-8-5-9-14(12)11-6-3-2-4-7-11;/h2-4,6-7,12-13H,5,8-10H2,1H3;1H
InChIKeyKWDOLJWQGBETJK-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.30
Rot. Bonds3

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

N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride (PubChem CID 3072375) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride
PubChem CID3072375
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCNCC1CCCN1c1ccccc1.Cl
InChIInChI=1S/C12H18N2.ClH/c1-13-10-12-8-5-9-14(12)11-6-3-2-4-7-11;/h2-4,6-7,12-13H,5,8-10H2,1H3;1H
InChIKeyKWDOLJWQGBETJK-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride (CID 3072375) is N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride is CNCC1CCCN1c1ccccc1.Cl.
What is the InChIKey of N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
The InChIKey is KWDOLJWQGBETJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c1-13-10-12-8-5-9-14(12)11-6-3-2-4-7-11;/h2-4,6-7,12-13H,5,8-10H2,1H3;1H.
What are the key properties of N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride?
N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrrolidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 3072375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).