1-(4-naphthalen-1-ylphenyl)pyrrolidine

C20H19N — CID 168512103

IUPAC1-(4-naphthalen-1-ylphenyl)pyrrolidine
SMILESc1ccc2c(-c3ccc(N4CCCC4)cc3)cccc2c1
InChIInChI=1S/C20H19N/c1-2-8-19-16(6-1)7-5-9-20(19)17-10-12-18(13-11-17)21-14-3-4-15-21/h1-2,5-13H,3-4,14-15H2
InChIKeyZHEAOICRLXKPTE-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.11
Rot. Bonds2

About 1-(4-naphthalen-1-ylphenyl)pyrrolidine

1-(4-naphthalen-1-ylphenyl)pyrrolidine (PubChem CID 168512103) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-naphthalen-1-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-naphthalen-1-ylphenyl)pyrrolidine
PubChem CID168512103
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name1-(4-naphthalen-1-ylphenyl)pyrrolidine
SMILESc1ccc2c(-c3ccc(N4CCCC4)cc3)cccc2c1
InChIInChI=1S/C20H19N/c1-2-8-19-16(6-1)7-5-9-20(19)17-10-12-18(13-11-17)21-14-3-4-15-21/h1-2,5-13H,3-4,14-15H2
InChIKeyZHEAOICRLXKPTE-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59219664
1-[4-(2-chlorophenyl)phenyl]piperidine
CID 175206648
1-[9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 158579064
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene
CID 123884226
3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
CID 53236084
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823
4-naphthalen-1-ylbenzoic acid
CID 2760151
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-1-ylphenyl)pyrrolidine?
The IUPAC name of 1-(4-naphthalen-1-ylphenyl)pyrrolidine (CID 168512103) is 1-(4-naphthalen-1-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-naphthalen-1-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(4-naphthalen-1-ylphenyl)pyrrolidine is c1ccc2c(-c3ccc(N4CCCC4)cc3)cccc2c1.
What is the InChIKey of 1-(4-naphthalen-1-ylphenyl)pyrrolidine?
The InChIKey is ZHEAOICRLXKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-2-8-19-16(6-1)7-5-9-20(19)17-10-12-18(13-11-17)21-14-3-4-15-21/h1-2,5-13H,3-4,14-15H2.
What are the key properties of 1-(4-naphthalen-1-ylphenyl)pyrrolidine?
1-(4-naphthalen-1-ylphenyl)pyrrolidine has a molecular weight of 273.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-ylphenyl)pyrrolidine is sourced from PubChem (CID 168512103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).