(4-tert-butylphenyl)-quinolin-6-ylmethanamine

C20H22N2 — CID 82106268

IUPAC(4-tert-butylphenyl)-quinolin-6-ylmethanamine
SMILESCC(C)(C)c1ccc(C(N)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H22N2/c1-20(2,3)17-9-6-14(7-10-17)19(21)16-8-11-18-15(13-16)5-4-12-22-18/h4-13,19H,21H2,1-3H3
InChIKeyXYDVBVZHYISFCO-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.58
Rot. Bonds2

About (4-tert-butylphenyl)-quinolin-6-ylmethanamine

(4-tert-butylphenyl)-quinolin-6-ylmethanamine (PubChem CID 82106268) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-tert-butylphenyl)-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-quinolin-6-ylmethanamine
PubChem CID82106268
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name(4-tert-butylphenyl)-quinolin-6-ylmethanamine
SMILESCC(C)(C)c1ccc(C(N)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H22N2/c1-20(2,3)17-9-6-14(7-10-17)19(21)16-8-11-18-15(13-16)5-4-12-22-18/h4-13,19H,21H2,1-3H3
InChIKeyXYDVBVZHYISFCO-UHFFFAOYSA-N
XLogP4.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021067
2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103
(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine
CID 103215982
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
1-benzothiophen-2-yl(quinolin-6-yl)methanamine
CID 105021010
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021086
(4-propan-2-ylphenyl)-quinolin-7-ylmethanamine
CID 81210653
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-quinolin-6-ylmethanamine?
The IUPAC name of (4-tert-butylphenyl)-quinolin-6-ylmethanamine (CID 82106268) is (4-tert-butylphenyl)-quinolin-6-ylmethanamine.
What is the SMILES notation for (4-tert-butylphenyl)-quinolin-6-ylmethanamine?
The canonical SMILES for (4-tert-butylphenyl)-quinolin-6-ylmethanamine is CC(C)(C)c1ccc(C(N)c2ccc3ncccc3c2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-quinolin-6-ylmethanamine?
The InChIKey is XYDVBVZHYISFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-20(2,3)17-9-6-14(7-10-17)19(21)16-8-11-18-15(13-16)5-4-12-22-18/h4-13,19H,21H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-quinolin-6-ylmethanamine?
(4-tert-butylphenyl)-quinolin-6-ylmethanamine has a molecular weight of 290.41 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-quinolin-6-ylmethanamine is sourced from PubChem (CID 82106268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).