2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline

C22H25N — CID 160845478

IUPAC2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline
SMILESC[C@H](Cc1ccc2ccccc2n1)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C22H25N/c1-16(18-9-7-10-19(15-18)22(2,3)4)14-20-13-12-17-8-5-6-11-21(17)23-20/h5-13,15-16H,14H2,1-4H3/t16-/m1/s1
InChIKeySIOXCLCTKMKSDE-MRXNPFEDSA-N
MW303.45 g/mol
LogP5.88
Rot. Bonds3

About 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline

2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline (PubChem CID 160845478) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline.

Molecular Properties

Compound Name2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline
PubChem CID160845478
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline
SMILESC[C@H](Cc1ccc2ccccc2n1)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C22H25N/c1-16(18-9-7-10-19(15-18)22(2,3)4)14-20-13-12-17-8-5-6-11-21(17)23-20/h5-13,15-16H,14H2,1-4H3/t16-/m1/s1
InChIKeySIOXCLCTKMKSDE-MRXNPFEDSA-N
XLogP5.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
CID 23527699
CID 23527699
2-[(2R)-4-methyl-2-phenylpentyl]quinoline
CID 153438470
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
CID 66461440
(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
CID 81353377
2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
CID 66460157
2-(3-tert-butylphenyl)propyl-dimethylsilane
CID 157076830
2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
CID 132563536
3-methyl-4-quinolin-2-ylbutan-1-amine
CID 81014327
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline?
The IUPAC name of 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline (CID 160845478) is 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline.
What is the SMILES notation for 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline?
The canonical SMILES for 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline is C[C@H](Cc1ccc2ccccc2n1)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline?
The InChIKey is SIOXCLCTKMKSDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N/c1-16(18-9-7-10-19(15-18)22(2,3)4)14-20-13-12-17-8-5-6-11-21(17)23-20/h5-13,15-16H,14H2,1-4H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline?
2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline has a molecular weight of 303.45 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline is sourced from PubChem (CID 160845478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).