phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride

C17H21ClN2 — CID 135262853

IUPACphenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride
SMILESCl.NC(c1ccccc1)c1ccccc1N1CCCC1
InChIInChI=1S/C17H20N2.ClH/c18-17(14-8-2-1-3-9-14)15-10-4-5-11-16(15)19-12-6-7-13-19;/h1-5,8-11,17H,6-7,12-13,18H2;1H
InChIKeyLBPJJUDAFLZJEH-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.76
Rot. Bonds3

About phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride

phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride (PubChem CID 135262853) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Namephenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride
PubChem CID135262853
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Namephenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride
SMILESCl.NC(c1ccccc1)c1ccccc1N1CCCC1
InChIInChI=1S/C17H20N2.ClH/c18-17(14-8-2-1-3-9-14)15-10-4-5-11-16(15)19-12-6-7-13-19;/h1-5,8-11,17H,6-7,12-13,18H2;1H
InChIKeyLBPJJUDAFLZJEH-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride?
The IUPAC name of phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride (CID 135262853) is phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride is Cl.NC(c1ccccc1)c1ccccc1N1CCCC1.
What is the InChIKey of phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride?
The InChIKey is LBPJJUDAFLZJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2.ClH/c18-17(14-8-2-1-3-9-14)15-10-4-5-11-16(15)19-12-6-7-13-19;/h1-5,8-11,17H,6-7,12-13,18H2;1H.
What are the key properties of phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride?
phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-pyrrolidin-1-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 135262853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).