6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

C20H25N — CID 63967612

IUPAC6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc(Cc2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C20H25N/c1-20(2,3)18-9-6-15(7-10-18)13-16-8-11-19-17(14-16)5-4-12-21-19/h6-11,14,21H,4-5,12-13H2,1-3H3
InChIKeyXVWVRCBWSVHLSS-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.93
Rot. Bonds2

About 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 63967612) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID63967612
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc(Cc2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C20H25N/c1-20(2,3)18-9-6-15(7-10-18)13-16-8-11-19-17(14-16)5-4-12-21-19/h6-11,14,21H,4-5,12-13H2,1-3H3
InChIKeyXVWVRCBWSVHLSS-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-amine
CID 116998112
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
5-benzyl-2,3-dihydro-1H-indole
CID 19042869
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
8-tert-butyl-2,3,4,5-tetrahydro-1H-1-benzazepine;ethane
CID 176701513
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-[(3-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114689972
6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63970758

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 63967612) is 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccc(Cc2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is XVWVRCBWSVHLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-20(2,3)18-9-6-15(7-10-18)13-16-8-11-19-17(14-16)5-4-12-21-19/h6-11,14,21H,4-5,12-13H2,1-3H3.
What are the key properties of 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 279.43 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63967612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).